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Substance Name: 24-Norcholan-23-oic acid, 3,12-bis(sulfooxy)-, (3alpha,5beta,12alpha)-
RN: 124183-28-4
InChIKey: PZNXZOVYTZDYNB-AHFDLSHQSA-N

Molecular Formula

  • C23-H38-O10-S2

Molecular Weight

  • 538.6752
 
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Names and Synonyms

Synonym

  • Nordeoxycholic acid disulfate

Systematic Name

  • 24-Norcholan-23-oic acid, 3,12-bis(sulfooxy)-, (3alpha,5beta,12alpha)-

Registry Numbers

CAS Registry Number

  • 124183-28-4

System Generated Number

  • 0124183284

Structure Descriptors

InChI

1S/C23H38O10S2/c1-13(10-21(24)25)17-6-7-18-16-5-4-14-11-15(32-34(26,27)28)8-9-22(14,2)19(16)12-20(23(17,18)3)33-35(29,30)31/h13-20H,4-12H2,1-3H3,(H,24,25)(H,26,27,28)(H,29,30,31)/t13-,14-,15-,16+,17-,18+,19+,20+,22+,23-/m1/s1

InChIKey

PZNXZOVYTZDYNB-AHFDLSHQSA-N

Smiles

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