Canrenoic acid

CAS Registry Number®

4138-96-9
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CAS Name

Canrenoic acid

Molecular Formula

C22H30O4

Molecular Mass

358.47

Cite this Page

Canrenoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=4138-96-9 (retrieved 2024-04-23) (CAS RN: 4138-96-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    185-192 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C22H30O4/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21,26)12-8-19(24)25/h3-4,13,16-18,26H,5-12H2,1-2H3,(H,24,25)/t16-,17+,18+,20+,21+,22-/m1/s1

InChIKey

InChIKey=PBKZPPIHUVSDNM-WNHSNXHDSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@]([C@]4(C)C(C=C3)=CC(=O)CC4)(CC1)[H])[H])(CC[C@]2(CCC(O)=O)O)[H]

Canonical SMILES

O=C(O)CCC1(O)CCC2C3C=CC4=CC(=O)CCC4(C)C3CCC21C

Other Names for this Substance

  • Pregna-4,6-diene-21-carboxylic acid, 17-hydroxy-3-oxo-, (17α)-
  • 17α-Pregna-4,6-diene-21-carboxylic acid, 17-hydroxy-3-oxo-
  • (17α)-17-Hydroxy-3-oxopregna-4,6-diene-21-carboxylic acid
  • 3-(17β-Hydroxy-3-oxoandrosta-4,6-dien-17α-yl)propionic acid
  • 3-(3-Oxo-17β-hydroxyandrosta-4,6-dien-17α-yl)propionic acid

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