11-Ketoetiocholanolone

CAS Registry Number®

739-27-5

CAS Name

11-Ketoetiocholanolone

Molecular Formula

C19H28O3

Molecular Mass

304.42

Cite this Page

11-Ketoetiocholanolone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=739-27-5 (retrieved 2024-11-22) (CAS RN: 739-27-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    187-188 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C19H28O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h11-14,17,20H,3-10H2,1-2H3/t11-,12-,13+,14+,17-,18+,19+/m1/s1

InChIKey

InChIKey=IUNYGQONJQTULL-UKZLPJRTSA-N

SMILES

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

Canonical SMILES

O=C1CC2(C(=O)CCC2C3CCC4CC(O)CCC4(C)C13)C

Other Names for this Substance

  • Androstane-11,17-dione, 3-hydroxy-, (3α,5β)-
  • 5β-Androstane-11,17-dione, 3α-hydroxy-
  • (3α,5β)-3-Hydroxyandrostane-11,17-dione
  • 3α-Hydroxy-5β-androstane-11,17-dione
  • 3α-Hydroxy-11,17-dioxo-5β-androstane

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