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3,3-(2,2-Dimethyltrimethylene-1,3-dioxy)-5-.alpha.-hydroxyestra-1(10),9,dien-17-one
SpectraBase Compound ID 8KfVHrNXY6R
InChI InChI=1S/C23H32O4/c1-20(2)13-26-23(27-14-20)11-8-18-16-6-9-21(3)17(4-5-19(21)24)15(16)7-10-22(18,25)12-23/h6,8,15,17,25H,4-5,7,9-14H2,1-3H3/t15?,17?,21-,22+/m0/s1
InChIKey KAHNOFYVRBQOQK-BAISSWEHSA-N
Mol Weight 372.5 g/mol
Molecular Formula C23H32O4
Exact Mass 372.23006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LhFmb8DBZOv
Name 3,3-(2,2-Dimethyltrimethylene-1,3-dioxy)-5-.alpha.-hydroxyestra-1(10),9,dien-17-one
Alternate Name(s) (7'R,15'S)-7'-hydroxy-5,5,15'-trimethylspiro[1,3-dioxane-2,5'-tetracyclo[8.7.0.0(2,7).0(11,15)]heptadecane]-1'(17'),2'-dien-14'-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H32O4
InChI InChI=1S/C23H32O4/c1-20(2)13-26-23(27-14-20)11-8-18-16-6-9-21(3)17(4-5-19(21)24)15(16)7-10-22(18,25)12-23/h6,8,15,17,25H,4-5,7,9-14H2,1-3H3/t15?,17?,21-,22+/m0/s1
InChIKey KAHNOFYVRBQOQK-BAISSWEHSA-N
Molecular Weight 372.505 g/mol
SMILES O[C@@]12C(C=3C(C4CCC([C@]4(CC3)C)=O)CC2)=CCC2(OCC(CO2)(C)C)C1
SPLASH splash10-004i-1940000000-25c1f551e44c34c26106
Source of Spectrum SO-0-1343-20
Wiley ID 874174