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Substance Name: Isoursodeoxycholic acid
RN: 78919-26-3
InChIKey: RUDATBOHQWOJDD-DNMBCGTGSA-N

Molecular Formula

  • C24-H40-O4

Molecular Weight

  • 392.576
 
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Names and Synonyms

Name of Substance

  • Isoursodeoxycholic acid

Synonym

  • 3,7-Dihydroxycholan-24-oic acid

Systematic Name

  • Cholan-24-oic acid, 3,7-dihydroxy-, (3beta,5beta,7beta)-

Registry Numbers

CAS Registry Number

  • 78919-26-3

System Generated Number

  • 0078919263

Structure Descriptors

InChI

1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16+,17-,18+,19+,20+,22+,23+,24-/m1/s1

InChIKey

RUDATBOHQWOJDD-DNMBCGTGSA-N

Smiles

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