Ergosta-7,22-dien-6-one, 3,5,9-trihydroxy-23-methyl-, (3β,5α,22E)-
CAS Registry Number®
211486-12-3
CAS Name
Ergosta-7,22-dien-6-one, 3,5,9-trihydroxy-23-methyl-, (3β,5α,22E)-Molecular Formula
C29H46O4Molecular Mass
458.67Cite this Page
Ergosta-7,22-dien-6-one, 3,5,9-trihydroxy-23-methyl-, (3β,5α,22E)-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=211486-12-3 (retrieved ) (CAS RN: 211486-12-3). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C29H46O4/c1-17(2)20(5)18(3)14-19(4)22-8-9-23-24-15-25(31)29(33)16-21(30)10-11-27(29,7)28(24,32)13-12-26(22,23)6/h14-15,17,19-23,30,32-33H,8-13,16H2,1-7H3/b18-14+/t19-,20-,21+,22-,23+,26-,27-,28-,29+/m1/s1
InChIKey
InChIKey=MRERMGPPCLQIPD-ZLRVESLVSA-N
SMILES
O[C@@]12C([C@]3([C@](C)(CC1)[C@@]([C@@H](/C=C(/[C@@H](C(C)C)C)\C)C)(CC3)[H])[H])=CC(=O)[C@]4(O)[C@]2(C)CC[C@H](O)C4
Canonical SMILES
O=C1C=C2C3CCC(C(C=C(C)C(C)C(C)C)C)C3(C)CCC2(O)C4(C)CCC(O)CC14O
Other Names for this Substance
- Ergosta-7,22-dien-6-one, 3,5,9-trihydroxy-23-methyl-, (3β,5α,22E)-