17-Hydroxypregna-1,4-diene-3,20-dione

CAS Registry Number®

2477-61-4

CAS Name

17-Hydroxypregna-1,4-diene-3,20-dione

Molecular Formula

C21H28O3

Molecular Mass

328.45

Cite this Page

17-Hydroxypregna-1,4-diene-3,20-dione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2477-61-4 (retrieved 2025-05-14) (CAS RN: 2477-61-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    245-262 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H28O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h6,9,12,16-18,24H,4-5,7-8,10-11H2,1-3H3/t16-,17+,18+,19+,20+,21+/m1/s1

InChIKey

InChIKey=JQVUIHNKYYECGH-CEGNMAFCSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@]([C@]4(C)C(CC3)=CC(=O)C=C4)(CC1)[H])[H])(CC[C@@]2(C(C)=O)O)[H]

Canonical SMILES

O=C1C=CC2(C(=C1)CCC3C2CCC4(C)C3CCC4(O)C(=O)C)C

Other Names for this Substance

  • Pregna-1,4-diene-3,20-dione, 17-hydroxy-
  • 17-Hydroxypregna-1,4-diene-3,20-dione
  • 17α-Hydroxypregna-1,4-diene-3,20-dione
  • NSC 9786

CAS INSIGHTSTM
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