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9-methyl-5-pentyl-12-(prop-1-en-2-yl)-8-oxatricyclo[7.3.1.0(2,7)]trideca-2,4,6-trien-3-ol
SpectraBase Compound ID 1cCimyxqFLk
InChI InChI=1S/C21H30O2/c1-5-6-7-8-15-11-18(22)20-17-13-21(4,23-19(20)12-15)10-9-16(17)14(2)3/h11-12,16-17,22H,2,5-10,13H2,1,3-4H3
InChIKey NUXUDGMVYZUFNQ-UHFFFAOYSA-N
Mol Weight 314.47 g/mol
Molecular Formula C21H30O2
Exact Mass 314.22458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C2TiebpuJUC
Name 9-methyl-5-pentyl-12-(prop-1-en-2-yl)-8-oxatricyclo[7.3.1.0(2,7)]trideca-2,4,6-trien-3-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30O2
InChI InChI=1S/C21H30O2/c1-5-6-7-8-15-11-18(22)20-17-13-21(4,23-19(20)12-15)10-9-16(17)14(2)3/h11-12,16-17,22H,2,5-10,13H2,1,3-4H3
InChIKey NUXUDGMVYZUFNQ-UHFFFAOYSA-N
Instrument Name Thermo Scientific DSQII
Ionization Type EI
Literature Reference DOI 10.1021/acs.jnatprod.1c00567
SMILES Oc1c2c(cc(c1)CCCCC)OC1(CC2C(CC1)C(=C)C)C
SPLASH splash10-001i-0191000000-8539c3667ea6a1ffb7d1
Source of Spectrum G4-84-SM30-9, .delta.8-iso-THC
Wiley ID 1884115