Pregna-1,4-diene-3,20-dione, 9,11-epoxy-17,21-dihydroxy-, (9β,11β)-

CAS Registry Number®

7091-05-6

CAS Name

Pregna-1,4-diene-3,20-dione, 9,11-epoxy-17,21-dihydroxy-, (9β,11β)-

Molecular Formula

C21H26O5

Molecular Mass

358.43

Cite this Page

Pregna-1,4-diene-3,20-dione, 9,11-epoxy-17,21-dihydroxy-, (9β,11β)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=7091-05-6 (retrieved 2024-12-23) (CAS RN: 7091-05-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H26O5/c1-18-7-5-13(23)9-12(18)3-4-15-14-6-8-20(25,16(24)11-22)19(14,2)10-17-21(15,18)26-17/h5,7,9,14-15,17,22,25H,3-4,6,8,10-11H2,1-2H3/t14-,15-,17-,18-,19-,20-,21+/m0/s1

InChIKey

InChIKey=WQMGIEOKPKMWEY-FEUSSREZSA-N

SMILES

C[C@@]12[C@@]34[C@@](O3)(C[C@@]5(C)[C@]([C@@]4(CCC1=CC(=O)C=C2)[H])(CC[C@@]5(C(CO)=O)O)[H])[H]

Canonical SMILES

O=C1C=CC2(C(=C1)CCC3C4CCC(O)(C(=O)CO)C4(C)CC5OC532)C

Other Names for this Substance

  • Pregna-1,4-diene-3,20-dione, 9,11-epoxy-17,21-dihydroxy-, (9β,11β)-
  • 9β-Pregna-1,4-diene-3,20-dione, 9,11β-epoxy-17,21-dihydroxy-
  • 9,11-Epoxy-9H-cyclopenta[a]phenanthrene, pregna-1,4-diene-3,20-dione deriv.
  • 9,11β-Epoxy-17,21-dihydroxy-9β-pregna-1,4-diene-3,20-dione

CAS INSIGHTSTM
Pile of blue, green, and white color of capsule pills with modern design light.