Hydroxydione

CAS Registry Number®

303-01-5
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CAS Name

Hydroxydione

Molecular Formula

C21H32O3

Molecular Mass

332.48

Cite this Page

Hydroxydione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=303-01-5 (retrieved 2024-04-25) (CAS RN: 303-01-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    195-197 °C

Source(s)

  • (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)

Other Names and Identifiers

InChI

InChI=1S/C21H32O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h13,15-18,22H,3-12H2,1-2H3/t13-,15+,16+,17+,18-,20+,21+/m1/s1

InChIKey

InChIKey=USPYDUPOCUYHQL-VEVMSBRDSA-N

SMILES

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

Canonical SMILES

O=C1CCC2(C)C(C1)CCC3C4CCC(C(=O)CO)C4(C)CCC32

Other Names for this Substance

  • Pregnane-3,20-dione, 21-hydroxy-, (5β)-
  • 5β-Pregnane-3,20-dione, 21-hydroxy-
  • (5β)-21-Hydroxypregnane-3,20-dione
  • Hydroxydione
  • 5β-Pregnan-21-ol-3,20-dione

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Deleted or Replaced CAS Registry Numbers

360-69-0

CAS INSIGHTSTM
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