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3.alpha.-methoxy-5.beta.-pregnan-11-one
SpectraBase Compound ID FeGR7nL7x9P
InChI InChI=1S/C22H36O2/c1-5-14-7-9-18-17-8-6-15-12-16(24-4)10-11-21(15,2)20(17)19(23)13-22(14,18)3/h14-18,20H,5-13H2,1-4H3/t14-,15+,16+,17-,18-,20+,21-,22+/m0/s1
InChIKey YHDPPSQSQMMWJA-PCQZIHKKSA-N
Mol Weight 332.5 g/mol
Molecular Formula C22H36O2
Exact Mass 332.27153 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CMPb4sUL9I3
Name 3.alpha.-methoxy-5.beta.-pregnan-11-one
CAS Registry Number 125329-11-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H36O2
InChI InChI=1S/C22H36O2/c1-5-14-7-9-18-17-8-6-15-12-16(24-4)10-11-21(15,2)20(17)19(23)13-22(14,18)3/h14-18,20H,5-13H2,1-4H3/t14-,15+,16+,17-,18-,20+,21-,22+/m0/s1
InChIKey YHDPPSQSQMMWJA-PCQZIHKKSA-N
Molecular Weight 332.528 g/mol
SMILES [C@@]12([C@]([C@@]3(CC[C@]4([C@@]([C@]3(C(C2)=O)[H])(CC[C@@](OC)(C4)[H])C)[H])[H])(CC[C@@]1(CC)[H])[H])C
SPLASH splash10-0f7t-0098000000-19fd12cf4e8d3cdec90d
Source of Spectrum J-55-2175-34
Synonyms (3alpha,5beta)-3-methoxypregnan-11-one
Wiley ID 1329936