(3β,5α,6β,22E)-5,9-Epidioxyergosta-7,22-diene-3,6-diol

CAS Registry Number®

348611-57-4

CAS Name

(3β,5α,6β,22E)-5,9-Epidioxyergosta-7,22-diene-3,6-diol

Molecular Formula

C28H44O4

Molecular Mass

444.65

Cite this Page

(3β,5α,6β,22E)-5,9-Epidioxyergosta-7,22-diene-3,6-diol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=348611-57-4 (retrieved 2025-01-07) (CAS RN: 348611-57-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C28H44O4/c1-17(2)18(3)7-8-19(4)21-9-10-22-23-15-24(30)28-16-20(29)11-12-26(28,6)27(23,31-32-28)14-13-25(21,22)5/h7-8,15,17-22,24,29-30H,9-14,16H2,1-6H3/b8-7+/t18-,19+,20-,21+,22-,24+,25+,26+,27+,28?/m0/s1

InChIKey

InChIKey=XCRHWCBOUDKLGM-HISZBQDUSA-N

SMILES

C[C@@]12[C@]34C([C@]5([C@](C)(CC3)[C@@]([C@@H](/C=C/[C@@H](C(C)C)C)C)(CC5)[H])[H])=C[C@@H](O)[C@]1(OO4)C[C@@H](O)CC2

Canonical SMILES

OC1C=C2C3CCC(C(C=CC(C)C(C)C)C)C3(C)CCC42OOC51CC(O)CCC45C

Other Names for this Substance

  • Ergosta-7,22-diene-3,6-diol, 5,9-epidioxy-, (3β,5α,6β,22E)-
  • (3β,5α,6β,22E)-5,9-Epidioxyergosta-7,22-diene-3,6-diol
  • 5α,9α-Epidioxy-(22E)-ergosta-7,22-diene-3β,6β-diol

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