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(2E,4E,7R)-11-[(2R,3R)-3-ethenyl-4-oxo-2-oxetanyl]-3,5,7-trimethylundeca-2,4-dienoic acid (diphenylmethyl) ester
SpectraBase Compound ID 8BhHePM34eH
InChI InChI=1S/C32H38O4/c1-5-28-29(35-32(28)34)19-13-12-14-23(2)20-24(3)21-25(4)22-30(33)36-31(26-15-8-6-9-16-26)27-17-10-7-11-18-27/h5-11,15-18,21-23,28-29,31H,1,12-14,19-20H2,2-4H3/b24-21+,25-22+/t23-,28-,29-/m1/s1
InChIKey VCMUOFRGBSVADH-AAEJFGJPSA-N
Mol Weight 486.7 g/mol
Molecular Formula C32H38O4
Exact Mass 486.27701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JAnv4jF914g
Name (2E,4E,7R)-11-[(2R,3R)-3-ethenyl-4-oxo-2-oxetanyl]-3,5,7-trimethylundeca-2,4-dienoic acid (diphenylmethyl) ester
Alternate Name(s) (2E,4E,7R)-11-[(2R,3R)-4-keto-3-vinyl-oxetan-2-yl]-3,5,7-trimethyl-undeca-2,4-dienoic acid benzhydryl ester (diphenylmethyl) (2E,4E,7R)-11-[(2R,3R)-3-ethenyl-4-oxidanylidene-oxetan-2-yl]-3,5,7-trimethyl-undeca-2,4-dienoate benzhydryl (2E,4E,7R)-11-[(2R,3R)-3-ethenyl-4-oxooxetan-2-yl]-3,5,7-trimethylundeca-2,4-dienoate benzhydryl (2E,4E,7R)-3,5,7-trimethyl-11-[(2R,3R)-4-oxo-3-vinyl-oxetan-2-yl]undeca-2,4-dienoate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H38O4
InChI InChI=1S/C32H38O4/c1-5-28-29(35-32(28)34)19-13-12-14-23(2)20-24(3)21-25(4)22-30(33)36-31(26-15-8-6-9-16-26)27-17-10-7-11-18-27/h5-11,15-18,21-23,28-29,31H,1,12-14,19-20H2,2-4H3/b24-21+,25-22+/t23-,28-,29-/m1/s1
InChIKey VCMUOFRGBSVADH-AAEJFGJPSA-N
Molecular Weight 486.652 g/mol
SMILES C1([C@](C=C)([C@](O1)(CCCC[C@](C\C(=C\C(=C\C(OC(c1ccccc1)c1ccccc1)=O)C)C)(C)[H])[H])[H])=O
SPLASH splash10-000o-0000900000-12354a4a937d08e4f444
Source of Spectrum KC-0-1624-16
Wiley ID 828540