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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-3-pentenylidene)-, (4E,4aR*,7E,11aS*)-(+)-

View entire compound with spectra: 1 MS (GC)

Cyclonona[c]pyran-3(1H)-one, 4,4a,5,6,9,10,11,11a-octahydro-7-methyl-11-methylene-4-(4-methyl-3-pentenylidene)-, (4E,4aR*,7E,11aS*)-(+)-
SpectraBase Compound ID KosZDwGPv4t
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/h7-8,10,17,19H,4-6,9,11-13H2,1-3H3/b15-8-,18-10+/t17-,19+/m0/s1
InChIKey SQJLXMDBYVXCEL-SORDANKJSA-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 DeeE9FA2j7s
Name Cyclonona[c]pyran-3(1H)-one, 4,4a,5,6,9,10,11,11a-octahydro-7-methyl-11-methylene-4-(4-methyl-3-pentenylidene)-, (4E,4aR*,7E,11aS*)-(+)-
Alternate Name(s) (4E,4aR,11aS)-7-methyl-11-methylene-4-(4-methyl-3-pentenylidene)-4,4a,5,6,9,10,11,11a-octahydrocyclonona[c]pyran-3(1H)-one Coraxeniolide C'
CAS Registry Number 80388-46-1
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/h7-8,10,17,19H,4-6,9,11-13H2,1-3H3/b15-8-,18-10+/t17-,19+/m0/s1
InChIKey SQJLXMDBYVXCEL-SORDANKJSA-N
Molecular Weight 300.442 g/mol
SMILES [C@]12(\C(C(OC[C@@]2(C(=C)CC\C=C/(CC1)C)[H])=O)=C/CC=C(C)C)[H]
SPLASH splash10-0zfr-0069000000-5fe9f12fd439ffa1672f
Source of Spectrum F-37-2731-0
Wiley ID 1303342