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

CAS Registry Number®

10392-74-2
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CAS Name

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

Molecular Formula

C24H31ClO6

Molecular Mass

450.95

Cite this Page

Pregna-1,4-diene-3,20-dione, 9-chloro-11,21-dihydroxy-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=10392-74-2 (retrieved 2024-04-27) (CAS RN: 10392-74-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    281.5-283.5 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C24H31ClO6/c1-20(2)30-19-10-16-15-6-5-13-9-14(27)7-8-21(13,3)23(15,25)17(28)11-22(16,4)24(19,31-20)18(29)12-26/h7-9,15-17,19,26,28H,5-6,10-12H2,1-4H3/t15-,16-,17-,19+,21-,22-,23-,24+/m0/s1

InChIKey

InChIKey=QODVCCAEPMVWNP-JNQJZLCISA-N

SMILES

C(CO)(=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)CO)C4(C)CC(O)C32Cl)(C)C)C

Other Names for this Substance

  • Pregna-1,4-diene-3,20-dione, 9-chloro-11,21-dihydroxy-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
  • 2H-Naphth[2′,1′:4,5]indeno[1,2-d][1,3]dioxole, pregna-1,4-diene-3,20-dione deriv.

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