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

CAS Registry Number®

10392-75-3
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CAS Name

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

Molecular Formula

C26H33ClO7

Molecular Mass

492.99

Cite this Page

Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-9-chloro-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-, (11β,16α)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=10392-75-3 (retrieved 2024-04-29) (CAS RN: 10392-75-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    247-249 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C26H33ClO7/c1-14(28)32-13-20(31)26-21(33-22(2,3)34-26)11-18-17-7-6-15-10-16(29)8-9-23(15,4)25(17,27)19(30)12-24(18,26)5/h8-10,17-19,21,30H,6-7,11-13H2,1-5H3/t17-,18-,19-,21+,23-,24-,25-,26+/m0/s1

InChIKey

InChIKey=IRHGAALQXFDXBJ-VHDCPBDGSA-N

SMILES

C(COC(C)=O)(=O)[C@]12[C@]3(C)[C@@](C[C@]1(OC(C)(C)O2)[H])([C@]4([C@](Cl)([C@@H](O)C3)[C@]5(C)C(CC4)=CC(=O)C=C5)[H])[H]

Canonical SMILES

O=C1C=CC2(C(=C1)CCC3C4CC5OC(OC5(C(=O)COC(=O)C)C4(C)CC(O)C32Cl)(C)C)C

Other Names for this Substance

  • Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-9-chloro-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-, (11β,16α)-
  • Pregna-1,4-diene-3,20-dione, 9-chloro-11β,16α,17,21-tetrahydroxy-, cyclic 16,17-acetal with acetone, 21-acetate
  • 1H-Naphth[2′,1′:4,5]indeno[1,2-d][1,3]dioxole, pregna-1,4-diene-3,20-dione deriv.

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