Pentagestrone

CAS Registry Number®

7001-56-1
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CAS Name

Pentagestrone

Molecular Formula

C26H38O3

Molecular Mass

398.58

Cite this Page

Pentagestrone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=7001-56-1 (retrieved 2024-04-20) (CAS RN: 7001-56-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    184.5-186.5 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C26H38O3/c1-17(27)26(28)15-12-23-21-9-8-18-16-20(29-19-6-4-5-7-19)10-13-24(18,2)22(21)11-14-25(23,26)3/h8,16,19,21-23,28H,4-7,9-15H2,1-3H3/t21-,22+,23+,24+,25+,26+/m1/s1

InChIKey

InChIKey=RBFQPFFCDLXWQK-UXUCURBISA-N

SMILES

C[C@@]12[C@]([C@]3([C@@]([C@]4(C)C(=CC3)C=C(OC5CCCC5)CC4)(CC1)[H])[H])(CC[C@@]2(C(C)=O)O)[H]

Canonical SMILES

O=C(C)C1(O)CCC2C3CC=C4C=C(OC5CCCC5)CCC4(C)C3CCC21C

Other Names for this Substance

  • Pregna-3,5-dien-20-one, 3-(cyclopentyloxy)-17-hydroxy-
  • 3-(Cyclopentyloxy)-17-hydroxypregna-3,5-dien-20-one
  • Pentagestrone

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