Β-carotene
CAS Number: 7235-40-7
Molecular Mass: 536.9 g/mol
Formula: C40H56
Smiles: CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)CCCC2(C)C)C(C)(C)CCC1
Synonymes:
Β-carotene, beta-carotene, 7235-40-7, beta Carotene, beta,beta-Carotene, Betacarotene, Solatene, Carotaben, Provatene, all-trans-beta-Carotene, Serlabo, Food orange 5, KPMK, Provatenol, Lucaratin, BetaVit, Betacaroteno, Karotin, Natural Yellow 26, beta-Karotin, Solatene (caps), C.I. Food Orange 5, Zlut prirodni 26, Betacarotenum, CI Food Orange 5, Carotene,beta, Lucarotin 30sun, beta-Carotene, all-trans-, Beta, beta-carotene, CI 40800, CI 75130, C.I. 75130, Ins-160a(iii), Ins no.160a(iii), 1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene, Caroten base 35468, DTXSID3020253, E-160a(iii), E160A, 01YAE03M7J, NSC62794, NSC-62794, ROVIMIX beta-CAROTENE, DTXCID10253, C.I.-40800, CHEBI:17579, Cyclohexene, 1,1'-(3,7,12,16-tetramethyl-1,3,5,7,9,11,13,15,17-octadecanonaene-1,18-diyl)bis(2,6,6-trimethyl-, (all-E)-, CAROTENE, BETA, MaxCaro, Max Caro, Lumitene, Optimun, Gerard, Eldon, Golden rose, Nature's plus, 1,3,3-trimethyl-2-((1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl)cyclohexene, Cyclohexene, 1,1'-(3,7,12,16-tetramethyl-1,3,5,7,9,11,13,15,17-octadecanonaene-1,18-diyl)bis[2,6,6-trimethyl-, (all-E)-, RefChem:6393, A11CA02, D02BB01, 230-636-6, 3,7,12,16-tetramethyl-1,18-bis(2,6,6-trimethyl-1-cyclohexenyl)-octadeca-1,3,5,7,9,11,13,15,17-nonaene, Provitamin A, b,b-Carotene, .beta.-Carotene, .beta.,.beta.-Carotene, Lurotin, beta-Carotin, beta, -Carotene, .beta. Carotene, all-trans-.beta.-Carotene, MFCD00001556, NSC 62794, Betacarotene [INN], (all-E)-1,1'-(3,7,12,16-Tetramethyl-1,3,5,7,9,11,13,15,17-octadecanonaene-1,18-diyl)bis(2,6,6-trimethylcyclohexene), 116-32-5, Rovimix .beta.-carotene, b-Carotene, MLS001066383, 2,2'-((1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaene-1,18-diyl)bis(1,3,3-trimethylcyclohex-1-ene), Betacarotene (INN), 1,1'-(3,7,12,16-Tetramethyl-1,3,5,7,9,11,13,15,17-octadecanonaene-1,18-diyl)bis(2,6,6-trimethylcyclohexene), (all E)-, NCGC00096081-01, SMR000112037, Karotin [Czech], trans-beta-Carotene, .beta.-Carotene, all-trans-, Betacarotenum [Latin], beta carotene [USAN], Betacaroteno [Spanish], beta -carotene, Betacarotenum [INN-Latin], Betacaroteno [INN-Spanish], Zlut prirodni 26 [Czech], 1,1'-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaene-1,18-diyl]bis(2,6,6-trimethylcyclohexene), (all-E)-beta-Carotene, CCRIS 3245, HSDB 3264, Diet,beta-carotene supplementation, SR-01000763803, EINECS 230-636-6, Beta carotene [USAN:USP], UNII-01YAE03M7J, Carofertin, Lucarotin, E-beta-carotene, Betacarotene CRS, 9-cis--Carotene, all-E-b-Carotene, Rovimix b-carotene, Carotene, .beta., Solatene (TN), (all-E)-1,1'-(3,7,12,16-Tetramethyl-1,3,5,7,9,11,13,15,17-octadecanonaene-1,18-diyl)bis[2,6,6-trimethylcyclohexene], I(2)-Carotene, Carotene Base 80S, all-trans-b-Carotene, Natrual beta-Carotene, beta Carotene (USP), trans-.beta.-Carotene, all trans beta-Carotene, all -trans-b-carotene, all-E-.beta.-Carotene, beta-Carotene - 90%, all-epsilon-beta-Carotene, Spectrum5_000505, .beta., .beta.-Carotene, bmse000832, ?-Carotene - >95%, EC 230-636-6, C40H56 (beta-carotene), SCHEMBL6151, BETA CAROTENE [DSC], BETA-CAROTENE [FCC], CHEMBL1293, beta,beta-carotene [M+H]+, BIDD:PXR0110, BETA CAROTENE [HSDB], BETACAROTENE [MART.], BSPBio_003404, BETA CAROTENE [VANDF], BETACAROTENE [WHO-DD], CAROTENE,BETA [VANDF], .BETA.-CAROTENE [MI], orb1307959, orb3140257, BETA CAROTENE [USP-RS], BDBM54988, cid_5280489, HMS501A12, HY-N0411R, .beta.,.beta.-Carotene, neo B, MSK1569, BETACAROTENE [EP IMPURITY], GLXC-23133, HMS2091M17, Pharmakon1600-01500143, BETACAROTENE [EP MONOGRAPH], BETA CAROTENE [ORANGE BOOK], HY-N0411, beta-Carotene, >=97.0% (UV), Tox21_111557, CCG-36062, EBC-24042, LMPR01070001, NSC755910, s1767, BETA CAROTENE [USP MONOGRAPH], AKOS015896682, AC-1869, DB06755, FC19822, NSC-755910, SDCCGMLS-0066579.P001, IDI1_000330, NCGC00096081-02, NCGC00096081-06, |A, AS-13354, ST097774, SY051483, XC175229, CAS-7235-40-7, SBI-0051295.P003, NS00002019, SW220035-1, C02094, D03101, AB00051925_06, AB00051925_07, beta-Carotene, Vetec(TM) reagent grade, >=93%, EN300-21680271, F813409, Q306135, SR-01000763803-2, SR-01000763803-3, SR-01000763803-4, BETA-CAROTENE (CONSTITUENT OF SPIRULINA) [DSC], Beta-Carotene, all-trans-, CI 75130, Food Orange 5, BRD-K74225533-001-08-8, BRD-K74225533-001-09-6, BRD-K74225533-001-10-4, beta-Carotene, Type I, synthetic, >=93% (UV), powder, 89648336-F9B2-44A0-9BF8-62E73369CB9B, Beta Carotene Working Standard (Secondary Reference Standard), Beta Carotene, United States Pharmacopeia (USP) Reference Standard, beta-Carotene, Type II, synthetic, >=95% (HPLC), crystalline, beta-Carotene, Pharmaceutical Secondary Standard, Certified Reference Material, (1E,3E,5E,7E,9E,11E,13E,15E,17E)-1,18-bis(2,6,6-trimethylcyclohex-1-enyl)-3,7, 12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaene, (all-E)-1,1'-(3,7,12,16-Tetramethyl-1,3,5, 7,9,11,13,15,17-octadecanonaene-1,18-diyl)bis[2,6, 6-trimethylcyclohexene], (all-E)-1,1'-(3,7,12,16-Tetramethyl-1,3,5,7,9,11,13,15,17-octadecanonaene-1,18-diyl)bis, (all-E)-1,1'-(3,7,12,16-tetramethyl-1,3,5,7,9,11,13,15,17-octadecanonaene-1,18-diyl)bis[2,6,6-trimethyl-Cyclohexene, 1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohex-1-en-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]cyclohex-1-ene
Bioactivity: -
Solubility in Different Solvents
| Solvent | Temperature [K] | Crystal form | Solubility [mg/mL] | Reference |
|---|---|---|---|---|
| 1-Octanol | 293.15 | - | 0.0949 | [490] |
| Acetone | 293.15 | - | 0.102 | [488] |
| Cyclohexane | 293.15 | - | 1.501 | [488] |
| Cyclohexanone | 293.15 | - | 1.66 | [490] |
| Hexane | 293.15 | - | 0.366 | [488] |
| Methyl ethyl ketone | 293.15 | - | 0.546 | [489] |
| Toluene | 293.15 | - | 5.537 | [488] |
| tert-Butyl methyl ether | 293.15 | - | 0.5376 | [491] |
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 2891.3256 |
| PMI2 | 41145.2847 |
| PMI3 | 42967.4466 |
| NPR1 | 0.0673 |
| NPR2 | 0.9576 |
| RadiusOfGyration | 9.0015 |
| InertialShapeFactor | 0.0003 |
| Eccentricity | 0.9977 |
| Asphericity | 0.8119 |
| SpherocityIndex | 0.0586 |
| PBF | 1.0406 |