(3β)-3,21-Bis(sulfooxy)pregn-5-en-20-one

CAS Registry Number®

5639-07-6

CAS Name

(3β)-3,21-Bis(sulfooxy)pregn-5-en-20-one

Molecular Formula

C21H32O9S2

Molecular Mass

492.61

Cite this Page

(3β)-3,21-Bis(sulfooxy)pregn-5-en-20-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5639-07-6 (retrieved 2025-03-16) (CAS RN: 5639-07-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H32O9S2/c1-20-9-7-14(30-32(26,27)28)11-13(20)3-4-15-16-5-6-18(19(22)12-29-31(23,24)25)21(16,2)10-8-17(15)20/h3,14-18H,4-12H2,1-2H3,(H,23,24,25)(H,26,27,28)/t14-,15-,16-,17-,18+,20-,21-/m0/s1

InChIKey

InChIKey=CBOVWLYQUCVTFA-WPWXJNKXSA-N

SMILES

C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@@H](C(COS(=O)(=O)O)=O)CC4)[H])(CC=C1C[C@@H](OS(=O)(=O)O)CC2)[H])[H]

Canonical SMILES

O=C(COS(=O)(=O)O)C1CCC2C3CC=C4CC(OS(=O)(=O)O)CCC4(C)C3CCC12C

Other Names for this Substance

  • Pregn-5-en-20-one, 3,21-bis(sulfooxy)-, (3β)-
  • Pregn-5-en-20-one, 3β,21-dihydroxy-, bis(hydrogen sulfate)
  • (3β)-3,21-Bis(sulfooxy)pregn-5-en-20-one
  • 21-Hydroxypregnenolone disulfate
  • 3β,21-Dihydroxy-5-pregnen-20-one disulphate ester

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