Androstenediol 3-acetate 17-benzoate

CAS Registry Number®

5953-63-9

CAS Name

Androstenediol 3-acetate 17-benzoate

Molecular Formula

C28H36O4

Molecular Mass

436.58

Cite this Page

Androstenediol 3-acetate 17-benzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5953-63-9 (retrieved 2024-12-22) (CAS RN: 5953-63-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    180-182 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C28H36O4/c1-18(29)31-21-13-15-27(2)20(17-21)9-10-22-23-11-12-25(28(23,3)16-14-24(22)27)32-26(30)19-7-5-4-6-8-19/h4-9,21-25H,10-17H2,1-3H3/t21-,22-,23-,24-,25-,27-,28-/m0/s1

InChIKey

InChIKey=JVRUDYNTKOCRNP-ARZCWHKOSA-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](OC(C)=O)CC2)[H])[H]

Canonical SMILES

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

Other Names for this Substance

  • Androst-5-ene-3,17-diol, 3-acetate 17-benzoate, (3β,17β)-
  • Androst-5-ene-3β,17β-diol, 3-acetate benzoate
  • Androst-5-ene-3β,17β-diol, 3-acetate 17-benzoate
  • Androstenediol 3-acetate 17-benzoate
  • SKF 2895

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