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Substance Name: 3,7,12-Triformoxycholan-24-al
RN: 84965-66-2
InChIKey: ZTRYXNAUTGXGCK-XJZYBRFWSA-N

Molecular Weight

  • 476.606
 
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Names and Synonyms

Name of Substance

  • 3,7,12-Triformoxycholan-24-al

Synonyms

  • 3,7,12-TFCA
  • 3alpha,7alpha,12alpha-Triformoxy-5beta-cholan-24-al

Registry Numbers

CAS Registry Number

  • 84965-66-2

System Generated Number

  • 0084965662

Structure Descriptors

InChI

1S/C27H40O7/c1-17(5-4-10-28)20-6-7-21-25-22(13-24(34-16-31)27(20,21)3)26(2)9-8-19(32-14-29)11-18(26)12-23(25)33-15-30/h10,14-25H,4-9,11-13H2,1-3H3/t17-,18+,19-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1

InChIKey

ZTRYXNAUTGXGCK-XJZYBRFWSA-N

Smiles

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