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Substance Name: 3beta-Hydroxy-12-oxo-5beta-cholanoic acid
RN: 4560-58-1
InChIKey: CVNYHSDFZXHMMJ-KIHIVPLQSA-N

Molecular Weight

  • 390.5602
 
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Names and Synonyms

Synonym

  • CCRIS 3993

Systematic Name

  • 3beta-Hydroxy-12-oxo-5beta-cholanoic acid

Registry Numbers

CAS Registry Number

  • 4560-58-1

System Generated Number

  • 0004560581

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/h14-20,25H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16+,17+,18-,19+,20+,23+,24-/m1/s1

InChIKey

CVNYHSDFZXHMMJ-KIHIVPLQSA-N

Smiles

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