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Substance Name: Pregnane-3,20-diol 3,20-disulfate
RN: 27935-53-1
InChIKey: LSQGWMYMIHQKSA-ZVPCKFNKSA-N

Molecular Formula

  • C21-H36-O8-S2

Molecular Weight

  • 480.6394
 
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Names and Synonyms

Name of Substance

  • Pregnane-3,20-diol 3,20-disulfate

Synonyms

  • 5alpha-Pregnane-3beta,20alpha-diol 3,20-disulfate
  • 5alpha-Pregnane-3beta,20beta-diol 3,20-disulphate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 27935-53-1

System Generated Number

  • 0027935531

Structure Descriptors

InChI

1S/C21H36O8S2/c1-13(28-30(22,23)24)17-6-7-18-16-5-4-14-12-15(29-31(25,26)27)8-10-20(14,2)19(16)9-11-21(17,18)3/h13-19H,4-12H2,1-3H3,(H,22,23,24)(H,25,26,27)/t13-,14-,15-,16-,17+,18-,19-,20-,21+/m0/s1

InChIKey

LSQGWMYMIHQKSA-ZVPCKFNKSA-N

Smiles

C[C@@H]([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)OS(=O)(=O)O