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(1S,5S,6S) 2-(4-Methoxyphenyl)-1,6-dimethyl-5-allyl-2,10-ethenotricyclo[8.4.0.0(3,9)]tetradecan-4-one
SpectraBase Compound ID KaGkJKVfWLX
InChI InChI=1S/C28H36O2/c1-5-8-22-19(2)9-14-23-24(25(22)29)28(20-10-12-21(30-4)13-11-20)18-17-27(23)16-7-6-15-26(27,28)3/h5,10-13,17-19,22-24H,1,6-9,14-16H2,2-4H3/t19-,22-,23?,24?,26-,27-,28-/m0/s1
InChIKey UHPKWNHSQSMKGM-ZPWFYKHYSA-N
Mol Weight 404.6 g/mol
Molecular Formula C28H36O2
Exact Mass 404.27153 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6YsBQokx5Ho
Name (1S,5S,6S) 2-(4-Methoxyphenyl)-1,6-dimethyl-5-allyl-2,10-ethenotricyclo[8.4.0.0(3,9)]tetradecan-4-one
Alternate Name(s) (5S,6S,10S)-6-allyl-9-(4-methoxyphenyl)-5,10-dimethyltetracyclo[7.5.2.0(1,10).0(2,8)]hexadec-15-en-7-one 2-(4-Methoxyphenyl)-1,6-dimethyl-5-allyl-2,10-ethenotricyclo[8.4.0.0(3,9)]tetradecan-4-one
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Formula C28H36O2
InChI InChI=1S/C28H36O2/c1-5-8-22-19(2)9-14-23-24(25(22)29)28(20-10-12-21(30-4)13-11-20)18-17-27(23)16-7-6-15-26(27,28)3/h5,10-13,17-19,22-24H,1,6-9,14-16H2,2-4H3/t19-,22-,23?,24?,26-,27-,28-/m0/s1
InChIKey UHPKWNHSQSMKGM-ZPWFYKHYSA-N
Molecular Weight 404.594 g/mol
SMILES [C@]12([C@@]3([C@@](CCCC3)(C=C1)C1C2C([C@]([C@@](C)(CC1)[H])(CC=C)[H])=O)C)c1ccc(cc1)OC
SPLASH splash10-0006-0190000000-65ad3bce2628e33257d7
Source of Spectrum SO-0-1100-11
Wiley ID 1545976