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(1R,3S,4S)-Epoxycembrene A

View entire compound with spectra: 2 MS (GC)

(1R,3S,4S)-Epoxycembrene A
SpectraBase Compound ID pMPLptfUKz
InChI InChI=1S/C20H32O/c1-15(2)18-12-11-17(4)9-6-8-16(3)10-7-13-20(5)19(14-18)21-20/h9-10,18-19H,1,6-8,11-14H2,2-5H3/b16-10+,17-9+/t18-,19+,20+/m1/s1
InChIKey KEOMEGAHKSPEBP-VWTPCSIPSA-N
Mol Weight 288.5 g/mol
Molecular Formula C20H32O
Exact Mass 288.245316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 99ZRcjE1a1D
Name (1S,3R,6E,10E,14S)-3-isopropenyl-6,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-6,10-diene
Alternate Name(s) (1S,3R,6E,10E,14S)-6,10,14-trimethyl-3-(1-methylethenyl)-15-oxabicyclo[12.1.0]pentadeca-6,10-diene (1S,3R,6E,10E,14S)-6,10,14-trimethyl-3-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-diene
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Formula C20H32O
InChI InChI=1S/C20H32O/c1-15(2)18-12-11-17(4)9-6-8-16(3)10-7-13-20(5)19(14-18)21-20/h9-10,18-19H,1,6-8,11-14H2,2-5H3/b16-10+,17-9+/t18-,19+,20+/m1/s1
InChIKey KEOMEGAHKSPEBP-VWTPCSIPSA-N
Molecular Weight 288.475 g/mol
SMILES [C@]12(O[C@]1(C[C@@](CC\C(=C\CC\C(=C\CC2)C)C)(C(=C)C)[H])[H])C
SPLASH splash10-000e-9340000000-503a0cce0c109bd6a16a
Source of Spectrum SO-0-739-2
Wiley ID 873773