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Substance Name: 5alpha-Pregnane-3alpha,20alpha,21-triol 3-sulfate
RN: 57991-37-4
InChIKey: QBAAOZMEFXIMKS-CDEKRKRLSA-N

Molecular Formula

  • C21-H36-O6-S

Molecular Weight

  • 416.5754
 
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Names and Synonyms

Name of Substance

  • 5alpha-Pregnane-3alpha,20alpha,21-triol 3-sulfate

Systematic Name

  • Pregnane-3,20,21-triol, 3-(hydrogen sulfate), (3alpha,5alpha,20R)-

Registry Numbers

CAS Registry Number

  • 57991-37-4

System Generated Number

  • 0057991374

Structure Descriptors

InChI

1S/C21H36O6S/c1-20-9-7-14(27-28(24,25)26)11-13(20)3-4-15-16-5-6-18(19(23)12-22)21(16,2)10-8-17(15)20/h13-19,22-23H,3-12H2,1-2H3,(H,24,25,26)/t13-,14+,15-,16-,17-,18+,19-,20-,21-/m0/s1

InChIKey

QBAAOZMEFXIMKS-CDEKRKRLSA-N

Smiles

C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4[C@H](CO)O)C)OS(=O)(=O)O