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Substance Name: Sodium cholesteryl sulfate
RN: 2864-50-8
UNII: 87FG30X25H
InChIKey: LMPVQXVJTZWENW-KPNWGBFJSA-M

Molecular Formula

  • C27-H46-S.Na

Molecular Weight

  • 488.7045
 
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Names and Synonyms

Name of Substance

  • Sodium cholesteryl sulfate

Synonym

  • UNII-87FG30X25H

Systematic Name

  • Cholest-5-en-3-ol (3beta)-, hydrogen sulfate, sodium salt

Registry Numbers

CAS Registry Number

  • 2864-50-8

FDA UNII

  • 87FG30X25H

System Generated Number

  • 0002864508

Molecular Formulas

Molecular Formula

  • C27-H46-S.Na

Molecular Formula Fragments

  • C27-H46-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C27H46O4S.Na/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(31-32(28,29)30)13-15-26(20,4)25(22)14-16-27(23,24)5;/h9,18-19,21-25H,6-8,10-17H2,1-5H3,(H,28,29,30);/q;+1/p-1/t19-,21+,22+,23-,24+,25+,26+,27-;/m1./s1

InChIKey

LMPVQXVJTZWENW-KPNWGBFJSA-M

Smiles

C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OS(=O)(=O)[O-])C)C.[Na+]