Ergosta-7,22-diene-3,5,6,9-tetrol, 23-methyl-, (3β,5α,6β,22E)-

CAS Registry Number®

243449-55-0
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CAS Name

Ergosta-7,22-diene-3,5,6,9-tetrol, 23-methyl-, (3β,5α,6β,22E)-

Molecular Formula

C29H48O4

Molecular Mass

460.69

Cite this Page

Ergosta-7,22-diene-3,5,6,9-tetrol, 23-methyl-, (3β,5α,6β,22E)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=243449-55-0 (retrieved 2024-09-19) (CAS RN: 243449-55-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C29H48O4/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/h14-15,17,19-23,25,30-33H,8-13,16H2,1-7H3/b18-14+/t19-,20-,21+,22-,23+,25-,26-,27-,28-,29+/m1/s1

InChIKey

InChIKey=OVIAMXWKHLHCOK-GJEYGKKQSA-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])=C[C@@H](O)[C@]4(O)[C@]2(C)CC[C@H](O)C4

Canonical SMILES

OC1C=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-diene-3,5,6,9-tetrol, 23-methyl-, (3β,5α,6β,22E)-
  • (22E,24R)-23-Methylergosta-7,22-diene-3β,5α,6β,9α-tetrol