7-Ketopregnenolone

CAS Registry Number®

33530-84-6

CAS Name

7-Ketopregnenolone

Molecular Formula

C21H30O3

Molecular Mass

330.46

Cite this Page

7-Ketopregnenolone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=33530-84-6 (retrieved 2024-11-22) (CAS RN: 33530-84-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    207-208 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H30O3/c1-12(22)15-4-5-16-19-17(7-9-21(15,16)3)20(2)8-6-14(23)10-13(20)11-18(19)24/h11,14-17,19,23H,4-10H2,1-3H3/t14-,15+,16-,17-,19-,20-,21+/m0/s1

InChIKey

InChIKey=WNHLZNUVEVVTSY-GVQHXQKQSA-N

SMILES

C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@@H](C(C)=O)CC4)[H])(C(=O)C=C1C[C@@H](O)CC2)[H])[H]

Canonical SMILES

O=C1C=C2CC(O)CCC2(C)C3CCC4(C)C(C(=O)C)CCC4C13

Other Names for this Substance

  • Pregn-5-ene-7,20-dione, 3-hydroxy-, (3β)-
  • Pregn-5-ene-7,20-dione, 3β-hydroxy-
  • (3β)-3-Hydroxypregn-5-ene-7,20-dione
  • 3β-Hydroxy-5-pregnene-7,20-dione
  • 5-Pregnen-3β-ol-7,20-dione

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