Pregnane-3,20-diol, 3,20-bis(hydrogen sulfate), (3β,5α,20S)-

CAS Registry Number®

27935-53-1

CAS Name

Pregnane-3,20-diol, 3,20-bis(hydrogen sulfate), (3β,5α,20S)-

Molecular Formula

C21H36O8S2

Molecular Mass

480.64

Cite this Page

Pregnane-3,20-diol, 3,20-bis(hydrogen sulfate), (3β,5α,20S)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=27935-53-1 (retrieved 2024-11-22) (CAS RN: 27935-53-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey=LSQGWMYMIHQKSA-ZVPCKFNKSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@@](CC3)(C[C@@H](OS(=O)(=O)O)CC4)[H])(CC1)[H])[H])(CC[C@@]2([C@@H](OS(=O)(=O)O)C)[H])[H]

Canonical SMILES

O=S(=O)(O)OC1CCC2(C)C(CCC3C4CCC(C(OS(=O)(=O)O)C)C4(C)CCC32)C1

Other Names for this Substance

  • Pregnane-3,20-diol, 3,20-bis(hydrogen sulfate), (3β,5α,20S)-
  • 5α-Pregnane-3β,20α-diol, bis(hydrogen sulfate)
  • Pregnane-3,20-diol, bis(hydrogen sulfate), (3β,5α,20S)-
  • 5α-Pregnan-3β,20α-ylene sulfate
  • 5α-Pregnane-3β,20α-diol disulfate

CAS INSIGHTSTM
Targeted protein degrader structure, illustration