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Substance Name: Pregnane-3,20-diol 3-sulfate
RN: 65423-37-2
InChIKey: ZIVKBPVUJZDVBI-ZVPCKFNKSA-N

Molecular Weight

  • 400.576
 
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Names and Synonyms

Name of Substance

  • Pregnane-3,20-diol 3-sulfate

Synonyms

  • 5alpha-Pregnane-3beta,20alpha-diol 3-sulfate
  • 5alpha-Pregnane-3beta,20alpha-diol 3-sulphate
  • P-3,20-DS

Systematic Name

  • Pregnane-3,20-diol, 3-(hydrogen sulfate), (3beta,5alpha,20S)-

Registry Numbers

CAS Registry Number

  • 65423-37-2

System Generated Number

  • 0065423372

Structure Descriptors

InChI

1S/C21H36O5S/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/h13-19,22H,4-12H2,1-3H3,(H,23,24,25)/t13-,14-,15-,16-,17+,18-,19-,20-,21+/m0/s1

InChIKey

ZIVKBPVUJZDVBI-ZVPCKFNKSA-N

Smiles

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