(9β,11β,16α)-9,11-Epoxy-16,17,21-trihydroxypregna-1,4-diene-3,20-dione

CAS Registry Number®

94088-91-2

CAS Name

(9β,11β,16α)-9,11-Epoxy-16,17,21-trihydroxypregna-1,4-diene-3,20-dione

Molecular Formula

C21H26O6

Molecular Mass

374.43

Cite this Page

(9β,11β,16α)-9,11-Epoxy-16,17,21-trihydroxypregna-1,4-diene-3,20-dione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=94088-91-2 (retrieved 2024-12-23) (CAS RN: 94088-91-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H26O6/c1-18-6-5-12(23)7-11(18)3-4-13-14-8-15(24)20(26,16(25)10-22)19(14,2)9-17-21(13,18)27-17/h5-7,13-15,17,22,24,26H,3-4,8-10H2,1-2H3/t13-,14-,15+,17-,18-,19-,20-,21+/m0/s1

InChIKey

InChIKey=MJJGOAZIKWEYHG-APPPZISSSA-N

SMILES

C[C@@]12[C@@]34[C@]([C@]5([C@](C)(C[C@@]3(O4)[H])[C@](C(CO)=O)(O)[C@H](O)C5)[H])(CCC1=CC(=O)C=C2)[H]

Canonical SMILES

O=C1C=CC2(C(=C1)CCC3C4CC(O)C(O)(C(=O)CO)C4(C)CC5OC532)C

Other Names for this Substance

  • Pregna-1,4-diene-3,20-dione, 9,11-epoxy-16,17,21-trihydroxy-, (9β,11β,16α)-
  • 9,11-Epoxy-9H-cyclopenta[a]phenanthrene, pregna-1,4-diene-3,20-dione deriv.
  • (9β,11β,16α)-9,11-Epoxy-16,17,21-trihydroxypregna-1,4-diene-3,20-dione

CAS INSIGHTSTM
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