Pregnenolone sulfate

CAS Registry Number®

1247-64-9

CAS Name

Pregnenolone sulfate

Molecular Formula

C21H32O5S

Molecular Mass

396.54

Cite this Page

Pregnenolone sulfate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1247-64-9 (retrieved 2024-11-22) (CAS RN: 1247-64-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H32O5S/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/h4,15-19H,5-12H2,1-3H3,(H,23,24,25)/t15-,16-,17+,18-,19-,20-,21+/m0/s1

InChIKey

InChIKey=DIJBBUIOWGGQOP-QGVNFLHTSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Pregn-5-en-20-one, 3-(sulfooxy)-, (3β)-
  • Pregn-5-en-20-one, 3β-hydroxy-, hydrogen sulfate
  • (3β)-3-(Sulfooxy)pregn-5-en-20-one
  • Pregnenolone hydrogen sulfate
  • 3β-Hydroxypregn-5-en-20-one sulfate

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Deleted or Replaced CAS Registry Numbers

885262-32-8

CAS INSIGHTSTM
Targeted protein degrader structure, illustration