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Substance Name: Cholan-24-oic acid, 3-hydroxy-, (3beta,5beta)-
RN: 1534-35-6
InChIKey: SMEROWZSTRWXGI-WFVDQZAMSA-N

Molecular Formula

  • C24-H40-O3

Molecular Weight

  • 376.577
 
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Names and Synonyms

Synonyms

  • (3beta,5beta)-3-Hydroxycholan-24-oic acid
  • Isolithocholic acid

Systematic Name

  • Cholan-24-oic acid, 3-hydroxy-, (3beta,5beta)-

Registry Numbers

CAS Registry Number

  • 1534-35-6

System Generated Number

  • 0001534356

Structure Descriptors

InChI

InChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16-,17+,18+,19-,20+,21+,23+,24-/m1/s1

InChIKey

SMEROWZSTRWXGI-WFVDQZAMSA-N

Smiles

C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C