Pregn-4-ene-7,21-dicarboxylic acid, 17-hydroxy-3-oxo-, 7-methyl ester, (7α,17α)-

CAS Registry Number®

41020-68-2

CAS Name

Pregn-4-ene-7,21-dicarboxylic acid, 17-hydroxy-3-oxo-, 7-methyl ester, (7α,17α)-

Molecular Formula

C24H34O6

Molecular Mass

418.52

Cite this Page

Pregn-4-ene-7,21-dicarboxylic acid, 17-hydroxy-3-oxo-, 7-methyl ester, (7α,17α)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=41020-68-2 (retrieved 2024-11-25) (CAS RN: 41020-68-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C24H34O6/c1-22-8-4-15(25)12-14(22)13-16(21(28)30-3)20-17(22)5-9-23(2)18(20)6-10-24(23,29)11-7-19(26)27/h12,16-18,20,29H,4-11,13H2,1-3H3,(H,26,27)/t16-,17+,18+,20-,22+,23+,24-/m1/s1

InChIKey

InChIKey=JBXXREPMUABISH-RGKMBJPFSA-N

SMILES

C(OC)(=O)[C@H]1[C@]2([C@]3([C@@](C)([C@@](CCC(O)=O)(O)CC3)CC[C@@]2([C@]4(C)C(C1)=CC(=O)CC4)[H])[H])[H]

Canonical SMILES

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

Other Names for this Substance

  • Pregn-4-ene-7,21-dicarboxylic acid, 17-hydroxy-3-oxo-, 7-methyl ester, (7α,17α)-
  • 17-Hydroxy-7α-(methoxycarbonyl)-3-oxo-17α-pregn-4-ene-21-carboxylic acid
  • Mexrenoic acid

CAS INSIGHTSTM
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