5α,6α:8α,9α-Diepoxy-(22E,24R)-ergost-22-ene-3β,7α-diol

CAS Registry Number®

243449-51-6
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CAS Name

5α,6α:8α,9α-Diepoxy-(22E,24R)-ergost-22-ene-3β,7α-diol

Molecular Formula

C28H44O4

Molecular Mass

444.65

Cite this Page

5α,6α:8α,9α-Diepoxy-(22E,24R)-ergost-22-ene-3β,7α-diol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=243449-51-6 (retrieved 2024-09-19) (CAS RN: 243449-51-6).  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)20-9-10-21-24(20,5)13-14-27-25(6)12-11-19(29)15-26(25)23(31-26)22(30)28(21,27)32-27/h7-8,16-23,29-30H,9-15H2,1-6H3/b8-7+/t17-,18+,19-,20+,21+,22+,23-,24+,25-,26-,27-,28+/m0/s1

InChIKey

InChIKey=KAQBBVJKPGNKRN-LKAVKBBMSA-N

SMILES

C[C@@]12[C@@]34[C@@](O3)([C@]5([C@](C)(CC4)[C@@]([C@@H](/C=C/[C@@H](C(C)C)C)C)(CC5)[H])[H])[C@H](O)[C@]6([C@@]1(O6)C[C@@H](O)CC2)[H]

Canonical SMILES

OC1CCC2(C)C3(OC3C(O)C45OC52CCC6(C)C(CCC46)C(C=CC(C)C(C)C)C)C1

Other Names for this Substance

  • Ergost-22-ene-2,7-diol, 5,6:8,9-diepoxy-, (3β,5α,6α,7α,8α,22E)-
  • (3β,5α,6α,7α,8α,22E)-5,6:8,9-Diepoxyergost-22-ene-2,7-diol
  • 5α,6α:8α,9α-Diepoxy-(22E,24R)-ergost-22-ene-3β,7α-diol
  • (22E)-5α,6α:8α,9α-Diepoxyergost-22-ene-3β,7α-diol