Pregnenolone sulfate
CAS Registry Number®
1247-64-9
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CAS Name
Pregnenolone sulfateMolecular Formula
C21H32O5SMolecular Mass
396.54Cite this Page
Pregnenolone sulfate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=1247-64-9 (retrieved ) (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
Deleted or Replaced CAS Registry Numbers
885262-32-8
