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Substance Name: Norcholic acid
RN: 60696-62-0
InChIKey: SHUYNJFEXPRUGR-RTCCEZQESA-N

Note

  • Found in urine of patients with liver cirrhosis.

Molecular Formula

  • C23-H38-O5

Molecular Weight

  • 394.5482
 
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Names and Synonyms

Name of Substance

  • Norcholic acid

Synonym

  • Norcholate

Systematic Name

  • 24-Norcholan-23-oic acid, 3,7,12-trihydroxy-, (3alpha,5beta,7alpha,12alpha)-

Registry Numbers

CAS Registry Number

  • 60696-62-0

System Generated Number

  • 0060696620

Structure Descriptors

InChI

1S/C23H38O5/c1-12(8-20(27)28)15-4-5-16-21-17(11-19(26)23(15,16)3)22(2)7-6-14(24)9-13(22)10-18(21)25/h12-19,21,24-26H,4-11H2,1-3H3,(H,27,28)/t12-,13+,14-,15-,16+,17+,18-,19+,21+,22+,23-/m1/s1

InChIKey

SHUYNJFEXPRUGR-RTCCEZQESA-N

Smiles

C[C@H](CC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C