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Substance Name: Cortolonic acid
RN: 52077-56-2
InChIKey: WSGDQTSOKWCQOM-MLKYROJOSA-N

Note

  • Carboxylic acid metabolites of cortisol in man; both 20 alpha & 20 beta isomers isolated.

Molecular Weight

  • 380.478
 
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Names and Synonyms

Name of Substance

  • Cortolonic acid

Systematic Name

  • 3alpha,17,20-Trihydroxy-11-oxopregnan-21-oic acid

Registry Numbers

CAS Registry Number

  • 52077-56-2

System Generated Number

  • 0052077562

Structure Descriptors

InChI

1S/C21H32O6/c1-19-7-5-12(22)9-11(19)3-4-13-14-6-8-21(27,17(24)18(25)26)20(14,2)10-15(23)16(13)19/h11-14,16-17,22,24,27H,3-10H2,1-2H3,(H,25,26)/t11-,12-,13+,14+,16-,17+,19+,20+,21+/m1/s1

InChIKey

WSGDQTSOKWCQOM-MLKYROJOSA-N

Smiles

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