Pregna-1,4-diene-3,20-dione, 9,11-dichloro-21-hydroxy-16-methyl-, (11β,16α)-

CAS Registry Number®

65049-45-8
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CAS Name

Pregna-1,4-diene-3,20-dione, 9,11-dichloro-21-hydroxy-16-methyl-, (11β,16α)-

Molecular Formula

C22H28Cl2O3

Molecular Mass

411.36

Cite this Page

Pregna-1,4-diene-3,20-dione, 9,11-dichloro-21-hydroxy-16-methyl-, (11β,16α)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=65049-45-8 (retrieved 2024-03-29) (CAS RN: 65049-45-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H28Cl2O3/c1-12-8-16-15-5-4-13-9-14(26)6-7-21(13,3)22(15,24)18(23)10-20(16,2)19(12)17(27)11-25/h6-7,9,12,15-16,18-19,25H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,18+,19-,20+,21+,22+/m1/s1

InChIKey

InChIKey=FKRMBGXNTOTQDI-IIEHVVJPSA-N

SMILES

Cl[C@@]12[C@]([C@]3([C@](C)(C[C@@H]1Cl)[C@@H](C(CO)=O)[C@H](C)C3)[H])(CCC=4[C@]2(C)C=CC(=O)C4)[H]

Canonical SMILES

O=C1C=CC2(C(=C1)CCC3C4CC(C)C(C(=O)CO)C4(C)CC(Cl)C32Cl)C

Other Names for this Substance

  • Pregna-1,4-diene-3,20-dione, 9,11-dichloro-21-hydroxy-16-methyl-, (11β,16α)-
  • RU 24476

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