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11-oxapregna-1,4-dene-3,20-dione
SpectraBase Compound ID G9jEeZJNStr
InChI InChI=1S/C20H26O3/c1-12(21)16-6-7-17-15-5-4-13-10-14(22)8-9-19(13,2)18(15)23-11-20(16,17)3/h8-10,15-18H,4-7,11H2,1-3H3/t15?,16?,17?,18?,19-,20+/m0/s1
InChIKey GISKTTGMOBYMMI-OZFFSNAHSA-N
Mol Weight 314.43 g/mol
Molecular Formula C20H26O3
Exact Mass 314.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G2jtpGwkzhA
Name 11-oxapregna-1,4-dene-3,20-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26O3
InChI InChI=1S/C20H26O3/c1-12(21)16-6-7-17-15-5-4-13-10-14(22)8-9-19(13,2)18(15)23-11-20(16,17)3/h8-10,15-18H,4-7,11H2,1-3H3/t15?,16?,17?,18?,19-,20+/m0/s1
InChIKey GISKTTGMOBYMMI-OZFFSNAHSA-N
Molecular Weight 314.425 g/mol
SMILES [C@@]12(C3C(C4CCC([C@]4(CO3)C)C(=O)C)CCC2=CC(C=C1)=O)C
SPLASH splash10-0006-9301000000-40924c5b2f9feff92a0d
Source of Spectrum AJ-62-196-0
Synonyms (4aS,6aS)-7-acetyl-4a,6a-dimethyl-4b,6,6a,7,8,9,9a,9b,10,11-decahydrobenzo[h]cyclopenta[c]chromen-2(4aH)-one
Wiley ID 1315433