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Substance Name: 3-Hydroxypregnan-3-one 3-sulfate
RN: 7730-00-9
InChIKey: MENQCIVHHONJLU-FZCSVUEKSA-N

Molecular Formula

  • C21-H34-O5-S

Molecular Weight

  • 398.5606
 
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Names and Synonyms

Name of Substance

  • 3-Hydroxypregnan-3-one 3-sulfate

Synonyms

  • 3alpha-Hydroxy-5alpha-pregnan-20-one sulfate
  • 3beta-Hydroxy-5 alpha-pregnan-20-one 3-sulfate
  • 3beta-Hydroxy-5alpha-pregnan-20-one 3-sulfate
  • HPOS

Systematic Name

  • Pregnan-20-one, 3-(sulfooxy)-, (3beta,5alpha)-

Registry Numbers

CAS Registry Number

  • 7730-00-9

System Generated Number

  • 0007730009

Structure Descriptors

InChI

1S/C21H34O5S/c1-13(22)17-6-7-18-16-5-4-14-12-15(26-27(23,24)25)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19H,4-12H2,1-3H3,(H,23,24,25)/t14-,15-,16-,17+,18-,19-,20-,21+/m0/s1

InChIKey

MENQCIVHHONJLU-FZCSVUEKSA-N

Smiles

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