(3β,5α,6α,7β,22E)-5,6-Epoxyergosta-8,22-diene-3,7,14-triol

CAS Registry Number®

211486-18-9
No image available.

CAS Name

(3β,5α,6α,7β,22E)-5,6-Epoxyergosta-8,22-diene-3,7,14-triol

Molecular Formula

C28H44O4

Molecular Mass

444.65

Cite this Page

(3β,5α,6α,7β,22E)-5,6-Epoxyergosta-8,22-diene-3,7,14-triol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=211486-18-9 (retrieved 2024-09-19) (CAS RN: 211486-18-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C28H44O4/c1-16(2)17(3)7-8-18(4)20-11-14-27(31)22-21(10-13-25(20,27)5)26(6)12-9-19(29)15-28(26)24(32-28)23(22)30/h7-8,16-20,23-24,29-31H,9-15H2,1-6H3/b8-7+/t17-,18+,19-,20+,23+,24-,25+,26+,27+,28-/m0/s1

InChIKey

InChIKey=PEFVSALFOVYKAA-HXPFJBHASA-N

SMILES

C[C@]12[C@@]3([C@@](O3)([C@H](O)C4=C1CC[C@@]5(C)[C@@]4(O)CC[C@@]5([C@@H](/C=C/[C@@H](C(C)C)C)C)[H])[H])C[C@@H](O)CC2

Canonical SMILES

OC1C2=C(CCC3(C)C(CCC23O)C(C=CC(C)C(C)C)C)C4(C)CCC(O)CC54OC15

Other Names for this Substance

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