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Substance Name: 3,7,12-Trihydroxy-5-cholenoic acid
RN: 108906-88-3
InChIKey: NKRVAQNWPRPQDK-SZHOAPCDSA-N

Molecular Formula

  • C24-H38-O5

Molecular Weight

  • 406.5592
 
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Names and Synonyms

Name of Substance

  • 3,7,12-Trihydroxy-5-cholenoic acid

Synonyms

  • 3,7,12-Tca
  • 3beta,7alpha,12alpha-Trihydroxy-5-cholenoic acid

Registry Numbers

CAS Registry Number

  • 108906-88-3

System Generated Number

  • 0108906883

Structure Descriptors

InChI

1S/C24H38O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h11,13,15-20,22,25-27H,4-10,12H2,1-3H3,(H,28,29)/t13-,15+,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1

InChIKey

NKRVAQNWPRPQDK-SZHOAPCDSA-N

Smiles

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