Δ1-Cortienic acid

CAS Registry Number®

37927-29-0
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CAS Name

Δ1-Cortienic acid

Molecular Formula

C20H26O5

Molecular Mass

346.42

Cite this Page

Δ1-Cortienic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=37927-29-0 (retrieved 2024-09-07) (CAS RN: 37927-29-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H26O5/c1-18-7-5-12(21)9-11(18)3-4-13-14-6-8-20(25,17(23)24)19(14,2)10-15(22)16(13)18/h5,7,9,13-16,22,25H,3-4,6,8,10H2,1-2H3,(H,23,24)/t13-,14-,15-,16+,18-,19-,20-/m0/s1

InChIKey

InChIKey=MCKJPJYRCPANCC-XLXYOEISSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@]([C@]4(C)C(CC3)=CC(=O)C=C4)([C@@H](O)C1)[H])[H])(CC[C@@]2(C(O)=O)O)[H]

Canonical SMILES

O=C1C=CC2(C(=C1)CCC3C4CCC(O)(C(=O)O)C4(C)CC(O)C32)C

Other Names for this Substance

  • Androsta-1,4-diene-17-carboxylic acid, 11,17-dihydroxy-3-oxo-, (11β,17α)-
  • (11β,17α)-11,17-Dihydroxy-3-oxoandrosta-1,4-diene-17-carboxylic acid
  • 11β,17-Dihydroxy-3-oxoandrosta-1,4-diene-17β-carboxylic acid
  • Prednienic acid
  • Δ1-Cortienic acid

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Deleted or Replaced CAS Registry Numbers

85409-35-4