Etiocholanolone acetate

CAS Registry Number®

1482-78-6

CAS Name

Etiocholanolone acetate

Molecular Formula

C21H32O3

Molecular Mass

332.48

Cite this Page

Etiocholanolone acetate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1482-78-6 (retrieved 2024-11-25) (CAS RN: 1482-78-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    94-95 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H32O3/c1-13(22)24-15-8-10-20(2)14(12-15)4-5-16-17-6-7-19(23)21(17,3)11-9-18(16)20/h14-18H,4-12H2,1-3H3/t14-,15-,16+,17+,18+,20+,21+/m1/s1

InChIKey

InChIKey=FDCINQSOYQUNKB-YHKBIIBQSA-N

SMILES

C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)C(=O)CC4)[H])(CC[C@@]1(C[C@H](OC(C)=O)CC2)[H])[H])[H]

Canonical SMILES

O=C(OC1CCC2(C)C(CCC3C4CCC(=O)C4(C)CCC32)C1)C

Other Names for this Substance

  • Androstan-17-one, 3-(acetyloxy)-, (3α,5β)-
  • 5β-Androstan-17-one, 3α-hydroxy-, acetate
  • Etiocholanone, 3α-hydroxy-, acetate
  • (3α,5β)-3-(Acetyloxy)androstan-17-one
  • Etiocholanolone acetate

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