(9β,11β,16α)-9,11-Epoxy-21-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]pregna-1,4-diene-3,20-dione

CAS Registry Number®

39672-75-8
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CAS Name

(9β,11β,16α)-9,11-Epoxy-21-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]pregna-1,4-diene-3,20-dione

Molecular Formula

C24H30O6

Molecular Mass

414.49

Cite this Page

(9β,11β,16α)-9,11-Epoxy-21-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]pregna-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=39672-75-8 (retrieved 2024-04-30) (CAS RN: 39672-75-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C24H30O6/c1-20(2)28-18-10-16-15-6-5-13-9-14(26)7-8-21(13,3)23(15)19(29-23)11-22(16,4)24(18,30-20)17(27)12-25/h7-9,15-16,18-19,25H,5-6,10-12H2,1-4H3/t15-,16-,18+,19-,21-,22-,23+,24+/m0/s1

InChIKey

InChIKey=LAOLPAAORRPVAA-ZNGCHRITSA-N

SMILES

C[C@@]12[C@@]34[C@@](O3)(C[C@@]5(C)[C@]([C@@]4(CCC1=CC(=O)C=C2)[H])(C[C@@]6([C@@]5(C(CO)=O)OC(C)(C)O6)[H])[H])[H]

Canonical SMILES

O=C1C=CC2(C(=C1)CCC3C4CC5OC(OC5(C(=O)CO)C4(C)CC6OC632)(C)C)C

Other Names for this Substance

  • Pregna-1,4-diene-3,20-dione, 9,11-epoxy-21-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-, (9β,11β,16α)-
  • (9β,11β,16α)-9,11-Epoxy-21-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]pregna-1,4-diene-3,20-dione
  • 9,11β-Epoxy-16α,17,21-trihydroxy-9β-pregna-1,4-diene-3,20-dione, 16,17-acetonide

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