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2-[5'-(Benzenesulfonyl)-14'-hydroxy-9'-(methoxycarbonyl)-3',7',11',15'-tetramethylhexadeca-2',6',10',15'-tetraenyl]-1-[(methoxycarbonyl)oxy]-4-methoxybenzene
SpectraBase Compound ID 3S0YJSC5uXL
InChI InChI=1S/C37H48O9S/c1-26(2)33(38)21-18-29(5)25-37(35(39)44-7,47(41,42)32-15-10-9-11-16-32)24-28(4)14-12-13-27(3)17-19-30-23-31(43-6)20-22-34(30)46-36(40)45-8/h9-11,14-17,20,22-23,25,33,38H,1,12-13,18-19,21,24H2,2-8H3/b27-17+,28-14+,29-25+
InChIKey QYQDJHRAYKUXBC-YDONOJLISA-N
Mol Weight 668.8 g/mol
Molecular Formula C37H48O9S
Exact Mass 668.301904 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6dRfw9YBGs0
Name 2-[5'-(Benzenesulfonyl)-14'-hydroxy-9'-(methoxycarbonyl)-3',7',11',15'-tetramethylhexadeca-2',6',10',15'-tetraenyl]-1-[(methoxycarbonyl)oxy]-4-methoxybenzene
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Formula C37H48O9S
InChI InChI=1S/C37H48O9S/c1-26(2)33(38)21-18-29(5)25-37(35(39)44-7,47(41,42)32-15-10-9-11-16-32)24-28(4)14-12-13-27(3)17-19-30-23-31(43-6)20-22-34(30)46-36(40)45-8/h9-11,14-17,20,22-23,25,33,38H,1,12-13,18-19,21,24H2,2-8H3/b27-17+,28-14+,29-25+
InChIKey QYQDJHRAYKUXBC-YDONOJLISA-N
Molecular Weight 668.842 g/mol
SMILES OC(C(=C)C)CC\C(=C\C(S(=O)(=O)c1ccccc1)(C(=O)OC)C\C(=C\CC\C(=C\Cc1c(OC(=O)OC)ccc(c1)OC)C)C)C
SPLASH splash10-004l-7900000000-97151ca922b4b5859817
Source of Spectrum AC-134-77-4
Synonyms Methyl (4E,8E)-2-[(1E)-5-hydroxy-2,6-dimethyl-1,6-heptadienyl]-10-{5-methoxy-2-[(methoxycarbonyl)oxy]phenyl}-4,8-dimethyl-2-(phenylsulfonyl)-4,8-decadienoate
Wiley ID 812451