(3β,5α,8α,22E)-5,8-Epidioxy-23-methylergosta-6,22-dien-3-ol

CAS Registry Number®

211486-11-2
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CAS Name

(3β,5α,8α,22E)-5,8-Epidioxy-23-methylergosta-6,22-dien-3-ol

Molecular Formula

C29H46O3

Molecular Mass

442.67

Cite this Page

(3β,5α,8α,22E)-5,8-Epidioxy-23-methylergosta-6,22-dien-3-ol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=211486-11-2 (retrieved 2024-09-19) (CAS RN: 211486-11-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C29H46O3/c1-18(2)21(5)19(3)16-20(4)23-8-9-24-26(23,6)12-11-25-27(7)13-10-22(30)17-28(27)14-15-29(24,25)32-31-28/h14-16,18,20-25,30H,8-13,17H2,1-7H3/b19-16+/t20-,21-,22+,23-,24-,25-,26-,27-,28-,29+/m1/s1

InChIKey

InChIKey=BEFYGZGLHDYVIF-YPQQYYBDSA-N

SMILES

C[C@@]12[C@@]3([C@@]4([C@]5([C@](C)(CC3)[C@@]([C@@H](/C=C(/[C@@H](C(C)C)C)\C)C)(CC5)[H])[H])C=C[C@@]1(OO4)C[C@@H](O)CC2)[H]

Canonical SMILES

OC1CCC2(C)C3CCC4(C)C(CCC4C53OOC2(C=C5)C1)C(C=C(C)C(C)C(C)C)C

Other Names for this Substance

  • Ergosta-6,22-dien-3-ol, 5,8-epidioxy-23-methyl-, (3β,5α,8α,22E)-
  • (3β,5α,8α,22E)-5,8-Epidioxy-23-methylergosta-6,22-dien-3-ol
  • 5α,8α-Epidioxy-(22E,24R)-23-methylergosta-6,22-dien-3β-ol