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Cyclonona[c]pyran-3(1H)-one, 4,4a,5,6,9,10,11,11a-octahydro-7-methyl-11-methylene-4-(4-methyl-1,3- pentadienyl)-, [4R*(E),4aS*,7E,11aR*]-(-)-

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Cyclonona[c]pyran-3(1H)-one, 4,4a,5,6,9,10,11,11a-octahydro-7-methyl-11-methylene-4-(4-methyl-1,3- pentadienyl)-, [4R*(E),4aS*,7E,11aR*]-(-)-
SpectraBase Compound ID DGmT4iVWtY8
InChI InChI=1S/C20H28O2/c1-14(2)7-5-10-18-17-12-11-15(3)8-6-9-16(4)19(17)13-22-20(18)21/h5,7-8,10,17-19H,4,6,9,11-13H2,1-3H3/b10-5+,15-8-
InChIKey RFRJYQMIDFOCET-IKHMCDHESA-N
Mol Weight 300.44 g/mol
Molecular Formula C20H28O2
Exact Mass 300.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7Wo808Sden6
Name Cyclonona[c]pyran-3(1H)-one, 4,4a,5,6,9,10,11,11a-octahydro-7-methyl-11-methylene-4-(4-methyl-1,3- pentadienyl)-, [4R*(E),4aS*,7E,11aR*]-(-)-
Alternate Name(s) 7-methyl-11-methylene-4-[(1E)-4-methyl-1,3-pentadienyl]-4,4a,5,6,9,10,11,11a-octahydrocyclonona[c]pyran-3(1H)-one Arboxeniolide 1 Coraxeniolide D'
CAS Registry Number 80388-44-9
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O2
InChI InChI=1S/C20H28O2/c1-14(2)7-5-10-18-17-12-11-15(3)8-6-9-16(4)19(17)13-22-20(18)21/h5,7-8,10,17-19H,4,6,9,11-13H2,1-3H3/b10-5+,15-8-
InChIKey RFRJYQMIDFOCET-IKHMCDHESA-N
Molecular Weight 300.442 g/mol
SMILES C12C(C(=C)CC\C=C/(CC2)C)COC(C1\C=C\C=C(C)C)=O
SPLASH splash10-0udi-0009000000-f075bb248736bfeebc9c
Source of Spectrum F-37-2730-0
Wiley ID 1303341