Vitamin D3

CAS Number: 67-97-0

Molecular Mass: 384.6 g/mol

Formula: C₂₇H₄₄O

Smiles: C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@@H]12

Synonymes:

Vitamin D3, cholecalciferol, 67-97-0, Colecalciferol, Calciol, Oleovitamin D3, Ricketon, Deparal, Arachitol, Delsterol, Trivitan, Vigorsan, Ebivit, Vigantol, vitamin d-3, Colecalcipherol, Colecalciferolum, Cholecalciferolum, D3-Vicotrat, D3-Vigantol, Vi-de-3-hydrosol, NEO Dohyfral D3, Provitina, Rampage, Vitinc Dan-Dee-3, (+)-Vitamin D3, Delta-D, Cholecalciferol, D3, Colecalciferolo, Vi-De3, Duphafral D3 1000, Vitamin D 3, VIGANTOLETTEN, Vitamin d (cholecalciferol), NSC-375571, (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol, DTXSID6026294, 9,10-Secocholesta-5,7,10(19)-trien-3-beta-ol, CHEBI:28940, Vitamin d3 (as cholecalciferol), 1C6V77QF41, Vitamin d assay system suitability, (3beta,5Z,7E)-9,10-secocholesta-5,7,10(19)-trien-3-ol, (5Z,7E)-(3S)-9,10-seco-5,7,10(19)-cholestatrien-3-ol, (5Z,7E)-(3S)-9,10-secocholesta-5,7,10(19)-trien-3-ol, NSC375571, AK R215 COMPONENT COLECALCIFEROL, AK-R215 COMPONENT COLECALCIFEROL, (3S,5Z,7E)-9,10-secocholesta-5,7,10(19)-trien-3-ol, 9,10-Secocholesta-5,7,10(19)-trien-3-ol, DTXCID306294, Aviticol, Calceos, Dekristol, Desunin, Plenachol, Thorens, cholecalciferol (Vitamin D3), Zymad, Kora liquid, vitaminum d3, Calci-d, Calcichew d3, Osteocaps d3, Aciferol d3, Caldrink d3, Calfovit d3, Cubicole d3, Royalvit d3, Stexerol-d3, Synervit-d3, Accrete d3, Bio-vitamin d3, Colecal d3, Colekal-d3, Colevit d3, D3 lemon melts, Fultium-d3, Natecal d3, Vit d3 streuli, Calcichew d3 fte, Evacal d3, Fultium daily d3, Invita d3, Stivit-d3, D-max, Neo-d, Nphd3, Osteo-Vit3, Adcal-d3, Cacit d3, Pro d3 folic, Pro d3 forte, Theical d-3, (1S,3Z)-3-((2E)-2-((1R,3aS,7aR)-7a-methyl-1-((2R)-6-methylheptan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene)ethylidene)-4-methylidenecyclohexan-1-ol, Biolife vitamin d3, Vita-d3, Novel-D3, Vigantoletten 500, D-vit3, DECALCITROL, Hux d3, Iso d3, Pro d3, Amerix Vitamin D 3, PureVita Vitamin D3, RefChem:6410, Sunvit-d3 400, Sunvit-d3 800, Calcichew d3 once daily, Dlux 400, Sunvit-d3 1,000, Sunvit-d3 2,000, Sunvit-d3 3,000, Sunvit-d3 5,000, Sunvit-d3 10,000, Sunvit-d3 20,000, Sunvit-d3 50,000, Nature's remedy vitamin d3, D-Vite Pediatric Oral Liquid, A11CC05, (1S,3Z)-3-((2E)-2-((1R,7aR)-7a-methyl-1-((2R)-6-methylheptan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene)ethylidene)-4-methylidenecyclohexan-1-ol, (3 beta,5Z,7E)-9,10-Secocholesta-5,7,10(19)-trien-3-ol, GROWTH SUPPORTPATCH, HAUTUKI, Vitamin D3 400 IU/2 mL Liquid, DECARA HIGH POTENCY VITAMIN D3, D3-50, DECARA HIGH POTENCY VITAMIN D3 VEGICAPS, YYUX Organic Liquid Vitamin D3 Drops 1000 IU, YYUX Vegan Baby Liquid Vitamin D3 Drops 400 IU, YYUX Vegan Mama Liquid Vitamin D3 Drops 600 IU, YYUX Organic Liquid Vitamin D3 Drops For Baby 0-3 years 400 IU, YYUX Organic Liquid Vitamin D3 Drops For Kids 4 plus years 600 IU, (1S,3Z)-3-(2-((1R,3aS,4E,7aR)-7a-methyl-1-((2R)-6-methylheptan-2-yl)-octahydro-1H-inden-4-ylidene)ethylidene)-4-methylidenecyclohexan-1-ol, 200-673-2, FeraCol, MFCD00078131, CC, Colecalciferol [INN], Cholecalciferol (D3), NSC 375571, Micro-dee, VidDe-3-hydrosol, (S,Z)-3-((E)-2-((1R,3aS,7aR)-7a-methyl-1-((R)-6-methylheptan-2-yl)hexahydro-1H-inden-4(2H)-ylidene)ethylidene)-4-methylenecyclohexanol, 22350-41-0, Colecalciferol (INN), 9,10-Secocholesta-5,7,10(19)-trien-3-ol, (3b,5Z,7E)-, (1S)-3-{2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexan-1-ol, (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(1R)-1,5-dimethylhexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexanol, 2416217-93-9, Colecalciferolo [DCIT], 9,10-Secocholesta-5(Z),7(E),10(19)-trien-3(.beta.)-ol, 9,10-Secocholesta-5,7,10(19)-trien-3-ol, (3.beta.,5Z,7E)-, Colecalciferol D3, Cyclohexanol, 3-[(2E)-2-[(1R,3aS,7aR)-1-[(1R)-1,5-dimethylhexyl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylene-, (1S,3Z)-, Colecalciferolum [INN-Latin], Irradiated 7-dehydrocholesterol, CCRIS 6286, HSDB 820, 7-Dehydrocholesterol, irradiated, EINECS 200-673-2, EPA Pesticide Chemical Code 202901, Devaron, Videkhol, Vitamin D3 (Cholecalciferol), UNII-1C6V77QF41, (3.beta.,5Z,7E)-9,10-secocholesta-5,7,10(19)-trien-3-ol, Cholecalciferol, , Delsterol, , Provitina, , Ricketon, , Calciol, , Granuvit D3, DP-R206, Vitamin?D3, Prestwick_63, Cholecalciferol D3, NCGC00159331-02, (1S,Z)-3-((E)-2-((1R,7AR)-7a-methyl-1-((R)-6-methylheptan-2-yl)hexahydro-1H-inden-4(2H)-ylidene)ethylidene)-4-methylenecyclohexanol, (S,Z)-3-(2-((1R,3aS,7aR,E)-7a-methyl-1-((R)-6-methylheptan-2-yl)octahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexan-1-ol, Cyclohexanol, 3-((2E)-2-((1R,3aS,7aR)-1-((1R)-1,5-dimethylhexyl)octahydro-7a-methyl-4H-inden-4-ylidene)ethylidene)-4-methylene-, (1S,3Z)-, Cholecalciferol CRS, Cholecalciferol [USP:BAN:JAN:ISO], ()-Vitamin D3, 9,10-Seco(5Z,7E)-5,7,10(19)-cholestatrien-3-ol, Delta-D (TN), Vitamin D3 (Standard), 9,10-Secocholesta-5,7,10(19)-trien-3-ol, (3beta,5Z,7E)-, Prestwick3_000429, bmse000507, UPCMLD-DP152, VITAMIN D3 [MI], VITAMIN D3 [FCC], SCHEMBL3126, CHEMBL1042, BSPBio_000418, CHOLECALCIFEROL [ISO], CHOLECALCIFEROL [JAN], Cholecalciferol, 67-97-0, Cholecalciferol (JP18/USP), CHOLECALCIFEROL [HSDB], CHOLECALCIFEROL [VANDF], COLECALCIFEROL [MART.], BPBio1_000460, MEGxm0_000458, orb1309648, orb3024940, COLECALCIFEROL [WHO-DD], COLECALCIFEROL [WHO-IP], CHOLECALCIFEROL [USP-RS], UPCMLD-DP152:001, ACon1_001997, COLECALCIFEROL [EMA EPAR], MSK1501, HMS2096E20, Cholecalciferol, >=98% (HPLC), (1S,3Z)-3-[(2E)-2-[(1R,3AR,7AS)-7A-METHYL-1-[(2R)-6-METHYLHEPTAN-2-YL]-2,3,3A,5,6,7-HEXAHYDRO-1H-INDEN-4-YLIDENE]ETHYLIDENE]-4-METHYLIDENE-CYCLOHEXAN-1-OL, 9,10-Secocholestra-5,7,10(19)-trien-3-ol, (3beta,5Z,7E)-, ALBB-038598, Cholecalciferol, analytical standard, BDBM50030475, CHOLECALCIFEROL [ORANGE BOOK], EBC-26883, HY-15398R, LMST03020001, s4063, CHOLECALCIFEROL [EP MONOGRAPH], AKOS015950641, AC-8884, CCG-268466, CHOLECALCIFEROL [USP MONOGRAPH], COLECALCIFEROLUM [WHO-IP LATIN], CS-1179, DB00169, DP-R206 COMPONENT VITAMIN D3, FC11742, FC45357, FV74428, SMP1_000068, NCGC00091072-01, NCGC00159331-04, BS-42465, HY-15398, Vitamin D3 10 microg/mL in Acetonitrile, Cholecalciferol (D3), analytical standard, NS00008889, T1135, C05443, D00188, FOSAMAX PLUS D COMPONENT CHOLECALCIFEROL, Cholecalciferol, meets USP testing specifications, 9,10-Secocholesta-5,7,10(19)-trien-3beta-ol, Q139347, (5E,7E)-9,10-Secocholesta-5,7,10-trien-3-ol, VITAMIN D ASSAY SYSTEM SUITABILITY [USP-RS], BRD-K62779383-001-05-5, (3S,5Z,7E)-9,10-Secocholesta-5,7,10-trien-3-ol, Cholecalciferol - 100IU/mg - contains 2.5g/kg active, 3-beta,Z,7E-9,10-Secocholestr-5,7,10(19)-trien-3-ol, 9,10-Seco(5Z,7E)-5,7,10(19)-cholestatrien-3beta-ol, CHOLECALCIFEROL COMPONENT OF AK R215 COLECALCIFEROL, CHOLECALCIFEROL COMPONENT OF AK-R215 COLECALCIFEROL, (3beta,Z,7E)-9,10-Secocholesta-5,7,10(19)-trien-3-ol, (5Z,7E,3S)-9,10-Secocholesta-5,7,10(19)-trien-3-ol, Cholecalciferol, European Pharmacopoeia (EP) Reference Standard, Colecalciferol, British Pharmacopoeia (BP) Reference Standard, Cholecalciferol, United States Pharmacopeia (USP) Reference Standard, Cholecalciferol for system suitability, European Pharmacopoeia (EP) Reference Standard, (1S,3Z)-3-[(2E)-2-[7a-Methyl-1-(6-methylheptan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol, Cholecalciferol (Vitamin D3), Pharmaceutical Secondary Standard, Certified Reference Material

Bioactivity: -

Solubility in Different Solvents

Solvent	Temperature [K]	Crystal form	Solubility [mg/mL]	Reference
1-Butanol	273.2	-	761.2	[205]
1-Butanol	278.2	-	793.4	[205]
1-Butanol	283.2	-	825.8	[205]
1-Butanol	288.2	-	858.3	[205]
1-Butanol	298.2	-	850.3	[205]
1-Propanol	248.2	-	371.9	[206]
1-Propanol	253.2	-	512.0	[206]
1-Propanol	258.2	-	667.8	[206]
1-Propanol	263.2	-	836.5	[206]
1-Propanol	268.2	-	1027.9	[206]
1-Propanol	273.2	-	1257.5	[206]
2-Butanol	273.2	-	778.2	[205]
2-Butanol	278.2	-	816.0	[205]
2-Butanol	283.2	-	854.1	[205]
2-Butanol	288.2	-	898.6	[205]
2-Butanol	298.2	-	957.3	[205]
Acetone	248.2	-	34.29	[206]
Acetone	253.2	-	44.94	[206]
Acetone	258.2	-	59.1	[206]
Acetone	263.2	-	78.97	[206]
Acetone	268.2	-	106.5	[206]
Acetone	273.2	-	155.3	[206]
Acetonitrile	248.2	-	0.5933	[206]
Acetonitrile	253.2	-	0.7164	[206]
Acetonitrile	258.2	-	1.027	[206]
Acetonitrile	263.2	-	1.22	[206]
Acetonitrile	268.2	-	1.911	[206]
Acetonitrile	273.2	-	2.345	[206]
Diethylene Glycol Monoethyl Ether	273.2	-	1686.0	[205]
Diethylene Glycol Monoethyl Ether	278.2	-	1722.0	[205]
Diethylene Glycol Monoethyl Ether	283.2	-	1766.0	[205]
Diethylene Glycol Monoethyl Ether	288.2	-	1820.0	[205]
Diethylene Glycol Monoethyl Ether	298.2	-	1902.0	[205]
Dimethyl sulfoxide	273.2	-	22.71	[205]
Dimethyl sulfoxide	278.2	-	25.87	[205]
Dimethyl sulfoxide	283.2	-	29.29	[205]
Dimethyl sulfoxide	288.2	-	32.9	[205]
Dimethyl sulfoxide	298.2	-	39.27	[205]
Ethanol	248.2	-	388.6	[206]
Ethanol	253.2	-	475.1	[206]
Ethanol	258.2	-	592.1	[206]
Ethanol	263.2	-	727.3	[206]
Ethanol	268.2	-	886.2	[206]
Ethanol	273.2	-	1060.0	[205]
Ethanol	273.2	-	1095.8	[206]
Ethanol	278.2	-	1127.0	[205]
Ethanol	283.2	-	1204.0	[205]
Ethanol	288.2	-	1281.0	[205]
Ethanol	298.2	-	1410.0	[205]
Ethyl acetate	248.2	-	93.44	[206]
Ethyl acetate	253.2	-	122.6	[206]
Ethyl acetate	258.2	-	156.5	[206]
Ethyl acetate	263.2	-	205.5	[206]
Ethyl acetate	268.2	-	277.6	[206]
Ethyl acetate	273.2	-	401.3	[205]
Ethyl acetate	273.2	-	391.2	[206]
Ethyl acetate	278.2	-	490.7	[205]
Ethyl acetate	283.2	-	600.7	[205]
Ethyl acetate	288.2	-	698.0	[205]
Ethyl acetate	298.2	-	945.6	[205]
Ethylene Glycol	273.2	-	0.7895	[205]
Ethylene Glycol	278.2	-	1.121	[205]
Ethylene Glycol	283.2	-	1.625	[205]
Ethylene Glycol	288.2	-	2.201	[205]
Ethylene Glycol	298.2	-	3.605	[205]
Isopropanol	273.2	-	1210.0	[205]
Isopropanol	278.2	-	1294.0	[205]
Isopropanol	283.2	-	1392.0	[205]
Isopropanol	288.2	-	1468.0	[205]
Isopropanol	298.2	-	1622.0	[205]
Methanol	248.2	-	20.5	[206]
Methanol	253.2	-	24.82	[206]
Methanol	258.2	-	33.49	[206]
Methanol	263.2	-	45.4	[206]
Methanol	268.2	-	61.54	[206]
Methanol	273.2	-	97.5	[206]
Propylene Glycol	273.2	-	7.555	[205]
Propylene Glycol	278.2	-	9.335	[205]
Propylene Glycol	283.2	-	11.05	[205]
Propylene Glycol	288.2	-	13.12	[205]
Propylene Glycol	298.2	-	17.65	[205]
Water	273.2	-	0.004	[205]
Water	273.2	-	0.0042	[207]
Water	278.2	-	0.00622	[205]
Water	278.2	-	0.0063	[207]
Water	283.2	-	0.009	[205]
Water	283.2	-	0.0094	[207]
Water	288.2	-	0.01211	[205]
Water	288.2	-	0.01219	[207]
Water	298.2	-	0.0219	[205]
Water	298.2	-	0.02254	[207]

Molecule 3D descriptors

Descriptor	Value
PMI1	973.7832
PMI2	9522.5058
PMI3	9765.6303
NPR1	0.0997
NPR2	0.9751
RadiusOfGyration	5.1321
InertialShapeFactor	0.0010
Eccentricity	0.9950
Asphericity	0.7329
SpherocityIndex	0.1734
PBF	1.0508