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Substance Name: 3-Hydroxy-5-cholen-24-oic acid 3-sulfate ester
RN: 67030-47-1
InChIKey: YZVVZYNJACRDSJ-QIZZZRFXSA-N

Molecular Formula

  • C24-H38-O6-S

Molecular Weight

  • 454.624
 
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Names and Synonyms

Name of Substance

  • 3-Hydroxy-5-cholen-24-oic acid 3-sulfate ester

Synonym

  • OHCOS

Systematic Name

  • Chol-5-en-24-oic acid, 3-(sulfooxy)-, (3beta)-

Registry Numbers

CAS Registry Number

  • 67030-47-1

System Generated Number

  • 0067030471

Structure Descriptors

InChI

1S/C24H38O6S/c1-15(4-9-22(25)26)19-7-8-20-18-6-5-16-14-17(30-31(27,28)29)10-12-23(16,2)21(18)11-13-24(19,20)3/h5,15,17-21H,4,6-14H2,1-3H3,(H,25,26)(H,27,28,29)/t15-,17+,18+,19-,20+,21+,23+,24-/m1/s1

InChIKey

YZVVZYNJACRDSJ-QIZZZRFXSA-N

Smiles

C1[C@@H](CC2=CC[C@H]3[C@@H]4CC[C@@H]([C@@H](CCC(=O)O)C)[C@@]4(C)CC[C@H]3[C@@]2(C1)C)OS(=O)(=O)O