Chemical Component Summary

Name(8ALPHA,9BETA)-CHOLEST-4-EN-3-ONE
Identifiers(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
FormulaC27 H44 O
Molecular Weight384.638
TypeNON-POLYMER
Isomeric SMILESCC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C
InChIInChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h17-19,22-25H,6-16H2,1-5H3/t19-,22+,23-,24+,25+,26+,27-/m1/s1
InChIKeyNYOXRYYXRWJDKP-GYKMGIIDSA-N

Chemical Details

Formal Charge0
Atom Count72
Chiral Atom Count7
Bond Count75
Aromatic Bond Count0

Related Resource References

Resource NameReference
PubChem 91477
ChEMBL CHEMBL63243
ChEBI CHEBI:16175