Pregn-4-ene-3,20-dione, 12-bromo-11-hydroxy-, (11β,12α)-

CAS Registry Number®

1242-47-3

CAS Name

Pregn-4-ene-3,20-dione, 12-bromo-11-hydroxy-, (11β,12α)-

Molecular Formula

C21H29BrO3

Molecular Mass

409.36

Cite this Page

Pregn-4-ene-3,20-dione, 12-bromo-11-hydroxy-, (11β,12α)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1242-47-3 (retrieved 2024-12-28) (CAS RN: 1242-47-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    220-222 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H29BrO3/c1-11(23)15-6-7-16-14-5-4-12-10-13(24)8-9-20(12,2)17(14)18(25)19(22)21(15,16)3/h10,14-19,25H,4-9H2,1-3H3/t14-,15+,16-,17+,18+,19-,20-,21+/m0/s1

InChIKey

InChIKey=BJZVIASULZGRCL-YRCLAMMRSA-N

SMILES

C[C@@]12[C@@]3([C@]([C@]4([C@](C)([C@@H](Br)[C@@H]3O)[C@@H](C(C)=O)CC4)[H])(CCC1=CC(=O)CC2)[H])[H]

Canonical SMILES

O=C1C=C2CCC3C4CCC(C(=O)C)C4(C)C(Br)C(O)C3C2(C)CC1

Other Names for this Substance

  • Pregn-4-ene-3,20-dione, 12-bromo-11-hydroxy-, (11β,12α)-
  • Pregn-4-ene-3,20-dione, 12α-bromo-11β-hydroxy-
  • Progesterone, 12α-bromo-11β-hydroxy-
  • 11β-Hydroxy-12α-bromoprogesterone
  • 12α-Bromo-11β-hydroxypregn-4-ene-3,20-dione

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