3-Oxo-4-aza-5α-androstane-17β-carboxylic acid

CAS Registry Number®

103335-55-3

CAS Name

3-Oxo-4-aza-5α-androstane-17β-carboxylic acid

Molecular Formula

C19H29NO3

Molecular Mass

319.44

Cite this Page

3-Oxo-4-aza-5α-androstane-17β-carboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=103335-55-3 (retrieved 2024-11-24) (CAS RN: 103335-55-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    >308 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C19H29NO3/c1-18-9-7-13-11(12(18)4-5-14(18)17(22)23)3-6-15-19(13,2)10-8-16(21)20-15/h11-15H,3-10H2,1-2H3,(H,20,21)(H,22,23)/t11-,12-,13-,14+,15+,18-,19+/m0/s1

InChIKey

InChIKey=MJXIPHMGYJXKLJ-MLGOENBGSA-N

SMILES

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

Canonical SMILES

O=C1NC2CCC3C4CCC(C(=O)O)C4(C)CCC3C2(C)CC1

Other Names for this Substance

  • 1H-Indeno[5,4-f]quinoline-7-carboxylic acid, hexadecahydro-4a,6a-dimethyl-2-oxo-, (4aR,4bS,6aS,7S,9aS,9bS,11aR)-
  • 4-Azaandrostane-17-carboxylic acid, 3-oxo-, (5α,17β)-
  • (4aR,4bS,6aS,7S,9aS,9bS,11aR)-Hexadecahydro-4a,6a-dimethyl-2-oxo-1H-indeno[5,4-f]quinoline-7-carboxylic acid
  • 1H-Indeno[5,4-f]quinoline-7-carboxylic acid, hexadecahydro-4a,6a-dimethyl-2-oxo-, [4aR-(4aα,4bβ,6aα,7α,9aβ,9bα,11aβ)]-
  • 4-Aza-3-oxo-5α-androstane-17β-carboxylic acid

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