18-Hydroxypregn-4-ene-3,20-dione

CAS Registry Number®

596-69-0
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CAS Name

18-Hydroxypregn-4-ene-3,20-dione

Molecular Formula

C21H30O3

Molecular Mass

330.46

Cite this Page

18-Hydroxypregn-4-ene-3,20-dione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=596-69-0 (retrieved 2024-08-19) (CAS RN: 596-69-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    159-160 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H30O3/c1-13(23)17-5-6-19-16-4-3-14-11-15(24)7-9-20(14,2)18(16)8-10-21(17,19)12-22/h11,16-19,22H,3-10,12H2,1-2H3/t16-,17-,18+,19+,20+,21+/m1/s1

InChIKey

InChIKey=QFNCSEWPJSDMED-OFELHODLSA-N

SMILES

C(O)[C@@]12[C@]([C@]3([C@](CC1)([C@]4(C)C(CC3)=CC(=O)CC4)[H])[H])(CC[C@@H]2C(C)=O)[H]

Canonical SMILES

O=C1C=C2CCC3C(CCC4(CO)C(C(=O)C)CCC34)C2(C)CC1

Other Names for this Substance

  • Pregn-4-ene-3,20-dione, 18-hydroxy-
  • Progesterone, 18-hydroxy-
  • 18-Hydroxypregn-4-ene-3,20-dione
  • 18-Hydroxy-progesterone