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(+/-)-sarcophytol-A benzyl ether
SpectraBase Compound ID Kk5pduaf7b9
InChI InChI=1S/C27H38O/c1-21(2)26-18-17-23(4)13-9-11-22(3)12-10-14-24(5)19-27(26)28-20-25-15-7-6-8-16-25/h6-8,11,14-18,21,27H,9-10,12-13,19-20H2,1-5H3/b22-11+,23-17+,24-14+,26-18-
InChIKey NKXCDZQHLJNHKL-JHXSIQBBSA-N
Mol Weight 378.6 g/mol
Molecular Formula C27H38O
Exact Mass 378.292266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2XtwEvogP9C
Name (+/-)-sarcophytol-A benzyl ether
Alternate Name(s) (1E,3Z,7E,11E)-5-(benzyloxy)-4-isopropyl-1,7,11-trimethylcyclotetradeca-1,3,7,11-tetraene
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Formula C27H38O
InChI InChI=1S/C27H38O/c1-21(2)26-18-17-23(4)13-9-11-22(3)12-10-14-24(5)19-27(26)28-20-25-15-7-6-8-16-25/h6-8,11,14-18,21,27H,9-10,12-13,19-20H2,1-5H3/b22-11+,23-17+,24-14+,26-18-
InChIKey NKXCDZQHLJNHKL-JHXSIQBBSA-N
Literature Reference DOI 10.1002/cjoc.19930110209
Molecular Weight 378.600 g/mol
SMILES C1\C(=C\C=C/(C(C\C(=C\CC\C(=C\C1)C)C)OCc1ccccc1)C(C)C)C
SPLASH splash10-0006-9300000000-922389e9def3def3d3b6
Source of Spectrum CJC-11-164-2
Wiley ID 1799296