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(1S,3S,4R,6S,1'R,2'S,5'R)-1-Methyl-3-[2'-methyl-3'-oxo-5'-(2-propenyl)cyclohexyl]-4-(2-propenyl)lbicyclo[4.1.0]heptan-2-one

View entire compound with spectra: 1 MS (GC)

(1S,3S,4R,6S,1'R,2'S,5'R)-1-Methyl-3-[2'-methyl-3'-oxo-5'-(2-propenyl)cyclohexyl]-4-(2-propenyl)lbicyclo[4.1.0]heptan-2-one
SpectraBase Compound ID BtyQUrzCAOG
InChI InChI=1S/C21H30O2/c1-5-7-14-9-17(13(3)18(22)10-14)19-15(8-6-2)11-16-12-21(16,4)20(19)23/h5-6,13-17,19H,1-2,7-12H2,3-4H3/t13-,14+,15+,16-,17+,19?,21-/m0/s1
InChIKey HAQPSVGMOJIYOM-PCAKPPAVSA-N
Mol Weight 314.47 g/mol
Molecular Formula C21H30O2
Exact Mass 314.22458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8r6Ru2pWEC
Name (1S,3S,4R,6S,1'R,2'S,5'R)-1-Methyl-3-[2'-methyl-3'-oxo-5'-(2-propenyl)cyclohexyl]-4-(2-propenyl)lbicyclo[4.1.0]heptan-2-one
Alternate Name(s) (1S,3S,4R,6S)-4-allyl-3-[(1R,2S,5R)-5-allyl-2-methyl-3-oxocyclohexyl]-1-methylbicyclo[4.1.0]heptan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30O2
InChI InChI=1S/C21H30O2/c1-5-7-14-9-17(13(3)18(22)10-14)19-15(8-6-2)11-16-12-21(16,4)20(19)23/h5-6,13-17,19H,1-2,7-12H2,3-4H3/t13-,14+,15+,16-,17+,19?,21-/m0/s1
InChIKey HAQPSVGMOJIYOM-PCAKPPAVSA-N
Molecular Weight 314.469 g/mol
SMILES [C@]12(C(C([C@]3([C@@](C(=O)C[C@@](C3)(CC=C)[H])(C)[H])[H])[C@@](C[C@@]1([H])C2)(CC=C)[H])=O)C
SPLASH splash10-0r70-1900000000-3ad5e10cc511c2e1f884
Source of Spectrum J-62-2342-21
Wiley ID 1315617