Allopregnanolone sulfate
CAS Registry Number®
7730-00-9
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CAS Name
Allopregnanolone sulfateMolecular Formula
C21H34O5SMolecular Mass
398.56Cite this Page
Allopregnanolone sulfate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=7730-00-9 (retrieved ) (CAS RN: 7730-00-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C21H34O5S/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/h14-19H,4-12H2,1-3H3,(H,23,24,25)/t14-,15-,16-,17+,18-,19-,20-,21+/m0/s1
InChIKey
InChIKey=MENQCIVHHONJLU-FZCSVUEKSA-N
SMILES
C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@@H](C(C)=O)CC4)[H])(CC[C@]1(C[C@@H](OS(=O)(=O)O)CC2)[H])[H])[H]
Canonical SMILES
O=C(C)C1CCC2C3CCC4CC(OS(=O)(=O)O)CCC4(C)C3CCC12C
Other Names for this Substance
- Pregnan-20-one, 3-(sulfooxy)-, (3β,5α)-
- 5α-Pregnan-20-one, 3β-hydroxy-, hydrogen sulfate
- (3β,5α)-3-(Sulfooxy)pregnan-20-one
- 5α-Pregnane-3β-yl-20-one, sulfate
- Ba 2782
