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Substance Name: 3,7,12,23-Tetrahydroxycholan-24-oic acid
RN: 6879-45-4
InChIKey: UJYLRDMHTJWIQW-SWSYAYITSA-N

Molecular Weight

  • 424.574
 
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Names and Synonyms

Name of Substance

  • 3,7,12,23-Tetrahydroxycholan-24-oic acid

Synonyms

  • 3,7,12,23-TCOA
  • 3alpha,7alpha,12alpha,23-Tetrahydroxy-5beta-cholan-24-oic acid

Systematic Name

  • Cholan-24-oic acid, 3,7,12,23-tetrahydroxy-, (3alpha,5beta,7alpha,12alpha,23R)-

Registry Numbers

CAS Registry Number

  • 6879-45-4

System Generated Number

  • 0006879454

Structure Descriptors

InChI

1S/C24H40O6/c1-12(8-19(27)22(29)30)15-4-5-16-21-17(11-20(28)24(15,16)3)23(2)7-6-14(25)9-13(23)10-18(21)26/h12-21,25-28H,4-11H2,1-3H3,(H,29,30)/t12-,13+,14-,15-,16+,17+,18-,19-,20+,21+,23+,24-/m1/s1

InChIKey

UJYLRDMHTJWIQW-SWSYAYITSA-N

Smiles

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