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Cyclotetradeca[b]furan-2(3H)-one, 3a,4,7,8,11,12,15,15a-octahydro-6-(hydroxymethyl)-10,14-dimethyl-3-methylene-
SpectraBase Compound ID LvtexjKKSgC
InChI InChI=1S/C20H28O3/c1-14-6-4-8-15(2)12-19-18(16(3)20(22)23-19)11-10-17(13-21)9-5-7-14/h7-8,10,18-19,21H,3-6,9,11-13H2,1-2H3/b14-7-,15-8-,17-10+
InChIKey KXVIJXIRUBWYDB-BNJPTCFQSA-N
Mol Weight 316.44 g/mol
Molecular Formula C20H28O3
Exact Mass 316.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DqbXx9LfXNc
Name Cyclotetradeca[b]furan-2(3H)-one, 3a,4,7,8,11,12,15,15a-octahydro-6-(hydroxymethyl)-10,14-dimethyl-3-methylene-
Alternate Name(s) (3E,7E,11E)-18-hydroxy-3,7,11,15(17)-cembratetraen-16,14-olide 6-(hydroxymethyl)-10,14-dimethyl-3-methylene-3a,4,7,8,11,12,15,15a-octahydrocyclotetradeca[b]furan-2(3H)-one
CAS Registry Number 86302-91-2
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O3
InChI InChI=1S/C20H28O3/c1-14-6-4-8-15(2)12-19-18(16(3)20(22)23-19)11-10-17(13-21)9-5-7-14/h7-8,10,18-19,21H,3-6,9,11-13H2,1-2H3/b14-7-,15-8-,17-10+
InChIKey KXVIJXIRUBWYDB-BNJPTCFQSA-N
Molecular Weight 316.441 g/mol
SMILES OC\C1=C\CC2C(C(OC2C\C(=C/CC\C(C)=C/CC1)C)=O)=C
SPLASH splash10-014i-0009000000-870999adee0e958c0d7b
Source of Spectrum F-39-1647-0
Wiley ID 1317069