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14-Acetoxy-(S,S)-4,5-epoxy-.beta.-caryophyllene
SpectraBase Compound ID HNcfRpdnx0t
InChI InChI=1S/C17H26O3/c1-11-5-6-15-17(20-15,10-19-12(2)18)8-7-14-13(11)9-16(14,3)4/h13-15H,1,5-10H2,2-4H3/t13-,14-,15+,17+/m1/s1
InChIKey BDESUTAYQPYKDJ-AIANPOQGSA-N
Mol Weight 278.39 g/mol
Molecular Formula C17H26O3
Exact Mass 278.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FD0OoWafX7W
Name 14-Acetoxy-(S,S)-4,5-epoxy-.beta.-caryophyllene
Alternate Name(s) ((1R,4S,6S,10S)-12,12-dimethyl-9-methylene-5-oxatricyclo[8.2.0.0(4,6)]dodecan-4-yl)methyl acetate
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Formula C17H26O3
InChI InChI=1S/C17H26O3/c1-11-5-6-15-17(20-15,10-19-12(2)18)8-7-14-13(11)9-16(14,3)4/h13-15H,1,5-10H2,2-4H3/t13-,14-,15+,17+/m1/s1
InChIKey BDESUTAYQPYKDJ-AIANPOQGSA-N
Literature Reference DOI 10.1002/ffj.1159
Molecular Weight 278.392 g/mol
SMILES [C@@]12(C(CC[C@]3([C@](CC[C@@]2([H])C(C)(C)C1)(COC(C)=O)O3)[H])=C)[H]
SPLASH splash10-0006-9200000000-9356a14b0d7afc8c15f1
Source of Spectrum FF-18-89-6a
Wiley ID 1775321