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(1S,3aS,3bS,5aS,9aR,9bS,11aS)-1-acetyl-9a,11a-dimethyl-2,3,3a,3b,4,5a,6,8,9,9b,10,11-dodecahydro-1H-indeno[4,5-c]chromen-7-one

View entire compound with spectra: 1 MS (GC)

(1S,3aS,3bS,5aS,9aR,9bS,11aS)-1-acetyl-9a,11a-dimethyl-2,3,3a,3b,4,5a,6,8,9,9b,10,11-dodecahydro-1H-indeno[4,5-c]chromen-7-one
SpectraBase Compound ID 1G3QC6cKjyg
InChI InChI=1S/C20H30O3/c1-12(21)15-4-5-16-14-11-23-18-10-13(22)6-8-20(18,3)17(14)7-9-19(15,16)2/h14-18H,4-11H2,1-3H3/t14-,15+,16-,17-,18-,19+,20+/m0/s1
InChIKey UBHDANTZAZWXEK-QTCMIBMWSA-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 HgM0pDyMcbe
Name (1S,3aS,3bS,5aS,9aR,9bS,11aS)-1-acetyl-9a,11a-dimethyl-2,3,3a,3b,4,5a,6,8,9,9b,10,11-dodecahydro-1H-indeno[4,5-c]chromen-7-one
Alternate Name(s) (1S,3aS,3bS,5aS,9aR,9bS,11aS)-1-acetyl-9a,11a-dimethyl-2,3,3a,3b,4,5a,6,8,9,9b,10,11-dodecahydro-1H-indeno[4,5-c][1]benzopyran-7-one (1S,3aS,3bS,5aS,9aR,9bS,11aS)-1-ethanoyl-9a,11a-dimethyl-2,3,3a,3b,4,5a,6,8,9,9b,10,11-dodecahydro-1H-indeno[4,5-c]chromen-7-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30O3
InChI InChI=1S/C20H30O3/c1-12(21)15-4-5-16-14-11-23-18-10-13(22)6-8-20(18,3)17(14)7-9-19(15,16)2/h14-18H,4-11H2,1-3H3/t14-,15+,16-,17-,18-,19+,20+/m0/s1
InChIKey UBHDANTZAZWXEK-QTCMIBMWSA-N
Molecular Weight 318.457 g/mol
SMILES [C@@]12([C@]([C@@]3(CO[C@@]4([C@@]([C@]3(CC2)[H])(CCC(=O)C4)C)[H])[H])(CC[C@@]1(C(=O)C)[H])[H])C
SPLASH splash10-0vi0-0009000000-9477d2b9f6e7e8a55971
Source of Spectrum J-61-6676-2
Wiley ID 1318853