Cholesterol

Compound Structure

CAS Number: 57-88-5

Molecular Mass: 386.7 g/mol

Formula: C27H46O

Smiles: CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

Synonymes:

Bioactivity: -

Solubility in Different Solvents

Solvent Temperature [K] Crystal form Solubility [mg/mL] Reference
Acetic acid 283.2 - 3.62 [436]
Acetic acid 293.2 - 8.12 [436]
Acetic acid 303.2 - 9.574 [436]
Acetic acid 313.2 - 16.91 [436]
Acetic acid 323.2 - 25.09 [436]
Anisole 283.2 - 64.34 [436]
Anisole 293.2 - 74.6 [436]
Anisole 303.2 - 86.59 [436]
Anisole 313.2 - 117.2 [436]
Anisole 323.2 - 159.6 [436]
Ethyl acetate 283.2 - 23.9 [436]
Ethyl acetate 293.2 - 37.99 [436]
Ethyl acetate 303.2 - 57.87 [436]
Ethyl acetate 313.2 - 82.09 [436]
Ethyl acetate 323.2 - 129.4 [436]
Heptane 283.2 - 5.301 [436]
Heptane 293.2 - 9.853 [436]
Heptane 303.2 - 15.97 [436]
Heptane 313.2 - 22.39 [436]
Heptane 323.2 - 39.2 [436]
Methanol 283.2 - 2.03 [436]
Methanol 293.2 - 4.01 [436]
Methanol 303.2 - 6.89 [436]
Methanol 313.2 - 9.794 [436]
Methanol 323.2 - 11.7 [436]
Methyl isobutyl ketone 283.2 - 31.91 [436]
Methyl isobutyl ketone 293.2 - 44.56 [436]
Methyl isobutyl ketone 303.2 - 85.58 [436]
Methyl isobutyl ketone 313.2 - 112.9 [436]
Methyl isobutyl ketone 323.2 - 151.7 [436]

Molecule 3D descriptors

Descriptor Value
PMI1 871.7906
PMI2 8718.3009
PMI3 9195.3594
NPR1 0.0948
NPR2 0.9481
RadiusOfGyration 4.9287
InertialShapeFactor 0.0011
Eccentricity 0.9955
Asphericity 0.7429
SpherocityIndex 0.1202
PBF 0.8435