For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Cyclonona[c]pyran-3(1H)-one, 4,4a,5,6,9,10,11,11a-octahydro-7-methyl-11-methylene-4-(4-methyl-2-pentenyl)-, [4R*(E),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-2-pentenyl)-, [4R*(E),4aR*,7E,11aS*]-(+)-
SpectraBase Compound ID 5TarUVUcij1
InChI InChI=1S/C20H30O2/c1-14(2)7-5-10-18-17-12-11-15(3)8-6-9-16(4)19(17)13-22-20(18)21/h5,7-8,14,17-19H,4,6,9-13H2,1-3H3/b7-5+,15-8-
InChIKey IQXNZCGTOXFATA-VAKPMEJFSA-N
Mol Weight 302.46 g/mol
Molecular Formula C20H30O2
Exact Mass 302.22458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID FaLrEPrR3VH
Name Cyclonona[c]pyran-3(1H)-one, 4,4a,5,6,9,10,11,11a-octahydro-7-methyl-11-methylene-4-(4-methyl-2-pentenyl)-, [4R*(E),4aR*,7E,11aS*]-(+)-
Alternate Name(s) 7-Methyl-11-methylene-4-[(2E)-4-methyl-2-pentenyl]-4,4a,5,6,9,10,11,11a-octahydrocyclonona[c]pyran-3(1H)-one Coraxeniolide A
CAS Registry Number 80388-48-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30O2
InChI InChI=1S/C20H30O2/c1-14(2)7-5-10-18-17-12-11-15(3)8-6-9-16(4)19(17)13-22-20(18)21/h5,7-8,14,17-19H,4,6,9-13H2,1-3H3/b7-5+,15-8-
InChIKey IQXNZCGTOXFATA-VAKPMEJFSA-N
Molecular Weight 302.458 g/mol
SMILES C12C(C(=C)CC\C=C/(CC2)C)COC(C1C\C=C\C(C)C)=O
SPLASH splash10-0g4i-0094000000-eacc75f1a2d07019dd30
Source of Spectrum F-37-2730-0
Wiley ID 1305118