3β-Hydroxychlormadinone acetate

CAS Registry Number®

3114-44-1
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CAS Name

3β-Hydroxychlormadinone acetate

Molecular Formula

C23H31ClO4

Molecular Mass

406.94

Cite this Page

3β-Hydroxychlormadinone acetate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=3114-44-1 (retrieved 2024-04-30) (CAS RN: 3114-44-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    227-229 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C23H31ClO4/c1-13(25)23(28-14(2)26)10-7-18-16-12-20(24)19-11-15(27)5-8-21(19,3)17(16)6-9-22(18,23)4/h11-12,15-18,27H,5-10H2,1-4H3/t15-,16+,17-,18-,21+,22-,23-/m0/s1

InChIKey

InChIKey=QQEHDZXXCDSAFE-JBSAMAPISA-N

SMILES

O(C(C)=O)[C@@]1(C(C)=O)[C@]2(C)[C@@](CC1)([C@]3([C@](CC2)([C@]4(C)C(C(Cl)=C3)=C[C@@H](O)CC4)[H])[H])[H]

Canonical SMILES

O=C(OC1(C(=O)C)CCC2C3C=C(Cl)C4=CC(O)CCC4(C)C3CCC21C)C

Other Names for this Substance

  • Pregna-4,6-dien-20-one, 17-(acetyloxy)-6-chloro-3-hydroxy-, (3β)-
  • Pregna-4,6-dien-20-one, 6-chloro-3β,17-dihydroxy-, 17-acetate
  • (3β)-17-(Acetyloxy)-6-chloro-3-hydroxypregna-4,6-dien-20-one
  • AY 11497
  • 6-Chloro-3β,17-dihydroxypregna-4,6-dien-20-one 17-acetate

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