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Substance Name: 3,12-Dihydroxy-5-cholenoic acid
RN: 63266-92-2
InChIKey: BSNCZSKCISVTHY-DNMQWNDWSA-N

Note

  • Unusual bile acid found in human biological fluids.

Molecular Formula

  • C24-H38-O4

Molecular Weight

  • 390.5602
 
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Names and Synonyms

Name of Substance

  • 3,12-Dihydroxy-5-cholenoic acid

Synonyms

  • 3,12-DHCOA
  • 3-beta,12-alpha-Dihydroxy-5-cholen-24-oic acid
  • 3beta,12alpha-Dihydroxychol-5-enoic acid

Systematic Name

  • Chol-5-en-24-oic acid, 3,12-dihydroxy-, (3beta,12alpha)-

Registry Numbers

CAS Registry Number

  • 63266-92-2

System Generated Number

  • 0063266922

Structure Descriptors

InChI

1S/C24H38O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h5,14,16-21,25-26H,4,6-13H2,1-3H3,(H,27,28)/t14-,16+,17+,18-,19+,20+,21+,23+,24-/m1/s1

InChIKey

BSNCZSKCISVTHY-DNMQWNDWSA-N

Smiles

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