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Substance Name: beta-Sitosterol sulfate
RN: 24815-93-8
UNII: B3TPL6G216
InChIKey: IPVNPUHVCZJVOI-VJSFXXLFSA-N

Note

  • Internal standard for measuement of cholesteryl sulfate.

Classification Code

  • Reproductive Effect

Molecular Formula

  • C29-H50-O.H-O4-S

Molecular Weight

  • 494.776
 
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Names and Synonyms

Name of Substance

  • beta-Sitosterol sulfate

Synonyms

  • 24-beta-Ethylcholest-5-en-3-beta-ol sulfate
  • beta-Sitosteryl sulfate
  • beta-Sitosteryl sulphate
  • Sitosterol sulfate
  • UNII-B3TPL6G216

Systematic Names

  • Cholest-5-en-3-beta-ol, 24-beta-ethyl-, sulfate salt (1:1)
  • Stigmast-5-en-3-beta-ol, hydrogen sulfate (8CI)
  • Stigmast-5-en-3-ol, hydrogen sulfate, (3-beta)- (9CI)
  • Stigmast-5-en-3-ol, hydrogen sulfate, (3beta)-

Registry Numbers

CAS Registry Number

  • 24815-93-8

FDA UNII

  • B3TPL6G216

System Generated Number

  • 0024815938

Molecular Formulas

Molecular Formula

  • C29-H50-O.H-O4-S

Molecular Formula Fragments

  • C29-H50-O
  • COMPONENT
  • H-O4-S

Structure Descriptors

InChI

1S/C29H50O4S/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(33-34(30,31)32)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27H,7-9,11-18H2,1-6H3,(H,30,31,32)/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1

InChIKey

IPVNPUHVCZJVOI-VJSFXXLFSA-N

Smiles

CC[C@H](CC[C@@H](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)C(C)C