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4(1H)-Azulenone, octahydro-3a,8-dimethyl-3-[(tetrahydro-2H-pyran-2-yl)oxy]-, [3.alpha.(S*),3a.alpha.,8.alpha.,8a.alpha.]-(.+-.)-
SpectraBase Compound ID KK9qNNKGEwW
InChI InChI=1S/C17H28O3/c1-5-7-13-10-15(20-11-19-4)17(3)14(18)9-6-8-12(2)16(13)17/h5,12-13,15-16H,1,6-11H2,2-4H3/t12?,13-,15-,16?,17-/m1/s1
InChIKey IOVMNSDADUGWBV-LHNATTAZSA-N
Mol Weight 280.41 g/mol
Molecular Formula C17H28O3
Exact Mass 280.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2YwDEp65Rom
Name 4(1H)-Azulenone, octahydro-3a,8-dimethyl-3-[(tetrahydro-2H-pyran-2-yl)oxy]-, [3.alpha.(S*),3a.alpha.,8.alpha.,8a.alpha.]-(.+-.)-
CAS Registry Number 83149-35-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H28O3
InChI InChI=1S/C17H28O3/c1-5-7-13-10-15(20-11-19-4)17(3)14(18)9-6-8-12(2)16(13)17/h5,12-13,15-16H,1,6-11H2,2-4H3/t12?,13-,15-,16?,17-/m1/s1
InChIKey IOVMNSDADUGWBV-LHNATTAZSA-N
Molecular Weight 280.408 g/mol
SMILES [C@@]12([C@@](C[C@](C2C(CCCC1=O)C)(CC=C)[H])(OCOC)[H])C
SPLASH splash10-002b-9270000000-1176afd64057bc39319b
Source of Spectrum C-104-6088-0
Synonyms (1R,3R,3aS)-1-allyl-3-(methoxymethoxy)-3a,8-dimethyloctahydro-4(1H)-azulenone 3a.beta.,8-dimethyl-3.beta.-(methoxymethoxy)-1,2,3,3a,6,7,8,8a-octahydro5.alpha.-(2-propenyl)azulen-4(5H)-one
Wiley ID 1284168