(2β,3β,5α,22R,23R,24S)-2,3-Epoxy-22,23-dihydroxyergostan-6-one
CAS Registry Number®
164321-81-7
CAS Name
(2β,3β,5α,22R,23R,24S)-2,3-Epoxy-22,23-dihydroxyergostan-6-oneMolecular Formula
C28H46O4Molecular Mass
446.66Cite this Page
(2β,3β,5α,22R,23R,24S)-2,3-Epoxy-22,23-dihydroxyergostan-6-one. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=164321-81-7 (retrieved ) (CAS RN: 164321-81-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C28H46O4/c1-14(2)15(3)25(30)26(31)16(4)18-7-8-19-17-11-22(29)21-12-23-24(32-23)13-28(21,6)20(17)9-10-27(18,19)5/h14-21,23-26,30-31H,7-13H2,1-6H3/t15-,16-,17-,18+,19-,20-,21+,23+,24-,25+,26+,27+,28+/m0/s1
InChIKey
InChIKey=WDGGOKUICSKRHH-UWDHJCPDSA-N
SMILES
C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@@]([C@@H]([C@H]([C@@H]([C@H](C(C)C)C)O)O)C)(CC4)[H])[H])(CC(=O)[C@]1(C[C@@]5([C@](C2)(O5)[H])[H])[H])[H])[H]
Canonical SMILES
O=C1CC2C3CCC(C(C)C(O)C(O)C(C)C(C)C)C3(C)CCC2C4(C)CC5OC5CC14
Other Names for this Substance
- Ergostan-6-one, 2,3-epoxy-22,23-dihydroxy-, (2β,3β,5α,22R,23R,24S)-
- (2β,3β,5α,22R,23R,24S)-2,3-Epoxy-22,23-dihydroxyergostan-6-one
- Secasterone