(3β,5α,6β,7α,22E)-Ergosta-8,22-diene-3,5,6,7-tetrol

CAS Registry Number®

200942-15-0
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CAS Name

(3β,5α,6β,7α,22E)-Ergosta-8,22-diene-3,5,6,7-tetrol

Molecular Formula

C28H46O4

Molecular Mass

446.66

Cite this Page

(3β,5α,6β,7α,22E)-Ergosta-8,22-diene-3,5,6,7-tetrol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=200942-15-0 (retrieved 2024-09-19) (CAS RN: 200942-15-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C28H46O4/c1-16(2)17(3)7-8-18(4)20-9-10-21-23-22(12-13-26(20,21)5)27(6)14-11-19(29)15-28(27,32)25(31)24(23)30/h7-8,16-21,24-25,29-32H,9-15H2,1-6H3/b8-7+/t17-,18+,19-,20+,21-,24-,25+,26+,27+,28-/m0/s1

InChIKey

InChIKey=JYZONTNDJOOGSM-CHCPMUEQSA-N

SMILES

O[C@H]1C2=C([C@]3(C)[C@@](O)([C@@H]1O)C[C@@H](O)CC3)CC[C@@]4(C)[C@]2(CC[C@@]4([C@@H](/C=C/[C@@H](C(C)C)C)C)[H])[H]

Canonical SMILES

OC1C2=C(CCC3(C)C2CCC3C(C=CC(C)C(C)C)C)C4(C)CCC(O)CC4(O)C1O

Other Names for this Substance

  • Ergosta-8,22-diene-3,5,6,7-tetrol, (3β,5α,6β,7α,22E)-
  • (3β,5α,6β,7α,22E)-Ergosta-8,22-diene-3,5,6,7-tetrol
  • (22E,24R)-Ergosta-8,22-diene-3β,5α,6β,7α-tetrol
  • Ergosta-8(9),22-diene-3,5,6,7-tetraol