Androstenediol 17-benzoate

CAS Registry Number®

1175-12-8

CAS Name

Androstenediol 17-benzoate

Molecular Formula

C26H34O3

Molecular Mass

394.55

Cite this Page

Androstenediol 17-benzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1175-12-8 (retrieved 2024-11-22) (CAS RN: 1175-12-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    214-215 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C26H34O3/c1-25-14-12-19(27)16-18(25)8-9-20-21-10-11-23(26(21,2)15-13-22(20)25)29-24(28)17-6-4-3-5-7-17/h3-8,19-23,27H,9-16H2,1-2H3/t19-,20-,21-,22-,23-,25-,26-/m0/s1

InChIKey

InChIKey=BGSWILYBWIQYKQ-DRKCKIEBSA-N

SMILES

C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@@H](OC(=O)C5=CC=CC=C5)CC4)[H])(CC=C1C[C@@H](O)CC2)[H])[H]

Canonical SMILES

O=C(OC1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C=5C=CC=CC5

Other Names for this Substance

  • Androst-5-ene-3,17-diol, 17-benzoate, (3β,17β)-
  • Androst-5-ene-3β,17β-diol, 17-benzoate
  • 17β-Benzoyloxyandrost-5-en-3β-ol
  • Androstenediol 17-benzoate
  • NSC 226156

Deleted or Replaced CAS Registry Numbers

85530-31-0

CAS INSIGHTSTM
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