(3β,5α,6α,7α,22E)-5,6-Epoxyergosta-8,14,22-triene-3,7-diol

CAS Registry Number®

276864-98-3

CAS Name

(3β,5α,6α,7α,22E)-5,6-Epoxyergosta-8,14,22-triene-3,7-diol

Molecular Formula

C28H42O3

Molecular Mass

426.63

Cite this Page

(3β,5α,6α,7α,22E)-5,6-Epoxyergosta-8,14,22-triene-3,7-diol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=276864-98-3 (retrieved 2025-01-07) (CAS RN: 276864-98-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C28H42O3/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)25(31-28)24(23)30/h7-8,10,16-20,24-25,29-30H,9,11-15H2,1-6H3/b8-7+/t17-,18+,19-,20+,24-,25-,26+,27+,28-/m0/s1

InChIKey

InChIKey=USHMBEFGKMCIBD-AAXQUGDCSA-N

SMILES

C[C@]12[C@@]3([C@@](O3)([C@@H](O)C4=C1CC[C@@]5(C)C4=CC[C@@]5([C@@H](/C=C/[C@@H](C(C)C)C)C)[H])[H])C[C@@H](O)CC2

Canonical SMILES

OC1C=2C3=CCC(C(C=CC(C)C(C)C)C)C3(C)CCC2C4(C)CCC(O)CC54OC15

Other Names for this Substance

  • Ergosta-8,14,22-triene-3,7-diol, 5,6-epoxy-, (3β,5α,6α,7α,22E)-
  • (3β,5α,6α,7α,22E)-5,6-Epoxyergosta-8,14,22-triene-3,7-diol

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