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Substance Name: 3,7,12-Trihydroxycoprostanic acid
RN: 863-39-8
InChIKey: JIFNDZCDNLFAKC-YAODFNMUSA-N

Molecular Weight

  • 464.682
 
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Names and Synonyms

Name of Substance

  • 3,7,12-Trihydroxycoprostanic acid

Synonyms

  • 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestanoic acid
  • 3alpha,7alpha,12alpha-Trihydroxycoprostanic acid
  • 5-Thca

Systematic Name

  • (3alpha,5beta,7alpha,12alpha)-3,7,12-Trihydroxycholestane-5-carboxylic acid

Registry Numbers

CAS Registry Number

  • 863-39-8

System Generated Number

  • 0000863398

Structure Descriptors

InChI

1S/C28H48O5/c1-16(2)7-6-8-17(3)19-9-10-20-24-21(13-23(31)27(19,20)5)26(4)12-11-18(29)14-28(26,25(32)33)15-22(24)30/h16-24,29-31H,6-15H2,1-5H3,(H,32,33)/t17-,18-,19-,20+,21+,22-,23+,24+,26-,27-,28+/m1/s1

InChIKey

JIFNDZCDNLFAKC-YAODFNMUSA-N

Smiles

C1[C@H](C[C@@]2(C[C@H]([C@H]3[C@@H]4CC[C@@H]([C@@H](CCCC(C)C)C)[C@@]4(C)[C@H](C[C@H]3[C@@]2(C1)C)O)O)C(=O)O)O