Androsta-5,16-dien-3-ol, 17-(1H-benzimidazol-1-yl)-, 3-acetate, (3β)-

CAS Registry Number®

851895-79-9
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CAS Name

Androsta-5,16-dien-3-ol, 17-(1H-benzimidazol-1-yl)-, 3-acetate, (3β)-

Molecular Formula

C28H34N2O2

Molecular Mass

430.58

Cite this Page

Androsta-5,16-dien-3-ol, 17-(1H-benzimidazol-1-yl)-, 3-acetate, (3β)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=851895-79-9 (retrieved 2024-09-18) (CAS RN: 851895-79-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    159-160 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C28H34N2O2/c1-18(31)32-20-12-14-27(2)19(16-20)8-9-21-22-10-11-26(28(22,3)15-13-23(21)27)30-17-29-24-6-4-5-7-25(24)30/h4-8,11,17,20-23H,9-10,12-16H2,1-3H3/t20-,21-,22-,23-,27-,28-/m0/s1

InChIKey

InChIKey=BMVDJAHFXLMNKS-APJCQQALSA-N

SMILES

C[C@@]12[C@]([C@]3([C@](CC1)([C@]4(C)C(=CC3)C[C@@H](OC(C)=O)CC4)[H])[H])(CC=C2N5C=6C(N=C5)=CC=CC6)[H]

Canonical SMILES

O=C(OC1CC2=CCC3C4CC=C(N5C=NC=6C=CC=CC65)C4(C)CCC3C2(C)CC1)C

Other Names for this Substance

  • Androsta-5,16-dien-3-ol, 17-(1H-benzimidazol-1-yl)-, 3-acetate, (3β)-
  • Androsta-5,16-dien-3-ol, 17-(1H-benzimidazol-1-yl)-, acetate (ester), (3β)-
  • 3β-Acetoxy-17-(1H-benzimidazol-1-yl)androsta-5,16-diene