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11-Oxa-5.beta.-pregnane-3,20-dione
SpectraBase Compound ID 6RHclYyZtIY
InChI InChI=1S/C20H30O3/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/h13,15-18H,4-11H2,1-3H3/t13-,15+,16-,17+,18+,19+,20-/m1/s1
InChIKey WIYNDTDRUWKAHI-NSKBVBDPSA-N
Mol Weight 318.46 g/mol
Molecular Formula C20H30O3
Exact Mass 318.219495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7varBNhRtmJ
Name 11-Oxa-5.beta.-pregnane-3,20-dione
Alternate Name(s) (4aS,4bS,6aS,7S,9aS,9bS,11aR)-7-acetyl-4a,6a-dimethyltetradecahydrobenzo[h]cyclopenta[c]chromen-2(1H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30O3
InChI InChI=1S/C20H30O3/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/h13,15-18H,4-11H2,1-3H3/t13-,15+,16-,17+,18+,19+,20-/m1/s1
InChIKey WIYNDTDRUWKAHI-NSKBVBDPSA-N
Molecular Weight 318.457 g/mol
SMILES [C@@]12([C@]([C@@]3(CC[C@]4([C@@]([C@]3(OC2)[H])(CCC(=O)C4)C)[H])[H])(CC[C@@]1(C(=O)C)[H])[H])C
SPLASH splash10-00kf-9046000000-cc971fc530ec1f4a5a15
Source of Spectrum AJ-62-196-14
Wiley ID 1318820