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2-[5'-(Benzenesulfonyl)-10'-hydroxy-5'-(methoxycarbonyl)-3',7',11'-trimethyldodeca-2',6',11'-trienyl]-1-[(methoxycarbonyl)oxy]-4-methoxybenzene
SpectraBase Compound ID 5gmPSEXucAv
InChI InChI=1S/C32H40O9S/c1-22(2)28(33)17-14-24(4)21-32(30(34)39-6,42(36,37)27-11-9-8-10-12-27)20-23(3)13-15-25-19-26(38-5)16-18-29(25)41-31(35)40-7/h8-13,16,18-19,21,28,33H,1,14-15,17,20H2,2-7H3/b23-13+,24-21+
InChIKey JXRXTXODKFLLSB-LVPJLCKRSA-N
Mol Weight 600.7 g/mol
Molecular Formula C32H40O9S
Exact Mass 600.239304 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IeJn2KDsD6i
Name 2-[5'-(Benzenesulfonyl)-10'-hydroxy-5'-(methoxycarbonyl)-3',7',11'-trimethyldodeca-2',6',11'-trienyl]-1-[(methoxycarbonyl)oxy]-4-methoxybenzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H40O9S
InChI InChI=1S/C32H40O9S/c1-22(2)28(33)17-14-24(4)21-32(30(34)39-6,42(36,37)27-11-9-8-10-12-27)20-23(3)13-15-25-19-26(38-5)16-18-29(25)41-31(35)40-7/h8-13,16,18-19,21,28,33H,1,14-15,17,20H2,2-7H3/b23-13+,24-21+
InChIKey JXRXTXODKFLLSB-LVPJLCKRSA-N
Molecular Weight 600.723 g/mol
SMILES OC(C(=C)C)CC\C(=C\C(S(=O)(=O)c1ccccc1)(C(=O)OC)C\C(=C\Cc1c(OC(=O)OC)ccc(c1)OC)C)C
SPLASH splash10-0006-9830300000-7d98b7d4f0401e6b5235
Source of Spectrum AC-134-77-3
Synonyms Methyl (3E)-7-hydroxy-2-((2E)-4-{5-methoxy-2-[(methoxycarbonyl)oxy]phenyl}-2-methyl-2-butenyl)-4,8-dimethyl-2-(phenylsulfonyl)-3,8-nonadienoate
Wiley ID 812453