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Diphenylmethyl [2E,4E,7R(2'R,3'R)]-11-(3'-hydroxymethyl-4'-oxooxetan-2'-yl)-3,5,7-trimethylundeca-2,4-dienoate
SpectraBase Compound ID FRETweALxlu
InChI InChI=1S/C31H38O5/c1-22(12-10-11-17-28-27(21-32)31(34)35-28)18-23(2)19-24(3)20-29(33)36-30(25-13-6-4-7-14-25)26-15-8-5-9-16-26/h4-9,13-16,19-20,22,27-28,30,32H,10-12,17-18,21H2,1-3H3/b23-19+,24-20+/t22-,27-,28-/m1/s1
InChIKey YHHLGBFHPYLZKJ-OYIPIDNQSA-N
Mol Weight 490.6 g/mol
Molecular Formula C31H38O5
Exact Mass 490.271924 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ER6B7Nxaie
Name Diphenylmethyl [2E,4E,7R(2'R,3'R)]-11-(3'-hydroxymethyl-4'-oxooxetan-2'-yl)-3,5,7-trimethylundeca-2,4-dienoate
Comments Less than 3 mono-isotopic peaks
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Formula C31H38O5
InChI InChI=1S/C31H38O5/c1-22(12-10-11-17-28-27(21-32)31(34)35-28)18-23(2)19-24(3)20-29(33)36-30(25-13-6-4-7-14-25)26-15-8-5-9-16-26/h4-9,13-16,19-20,22,27-28,30,32H,10-12,17-18,21H2,1-3H3/b23-19+,24-20+/t22-,27-,28-/m1/s1
InChIKey YHHLGBFHPYLZKJ-OYIPIDNQSA-N
Molecular Weight 490.640 g/mol
SMILES OC[C@]1(C(O[C@@]1(CCCC[C@](C\C(=C\C(=C\C(OC(c1ccccc1)c1ccccc1)=O)C)C)(C)[H])[H])=O)[H]
SPLASH splash10-014i-0900000000-8698b5e227ca12436eff
Source of Spectrum KC-0-1624-19
Synonyms benzhydryl (2E,4E,7R)-11-[(2R,3R)-3-(hydroxymethyl)-4-oxooxetanyl]-3,5,7-trimethyl-2,4-undecadienoate (2E,4E,7R)-11-[(2R,3R)-3-(hydroxymethyl)-4-oxo-2-oxetanyl]-3,5,7-trimethylundeca-2,4-dienoic acid (diphenylmethyl) ester benzhydryl (2E,4E,7R)-11-[(2R,3R)-3-(hydroxymethyl)-4-oxooxetan-2-yl]-3,5,7-trimethylundeca-2,4-dienoate benzhydryl (2E,4E,7R)-11-[(2R,3R)-3-(hydroxymethyl)-4-oxo-oxetan-2-yl]-3,5,7-trimethyl-undeca-2,4-dienoate (diphenylmethyl) (2E,4E,7R)-11-[(2R,3R)-3-(hydroxymethyl)-4-oxidanylidene-oxetan-2-yl]-3,5,7-trimethyl-undeca-2,4-dienoate
Wiley ID 828539