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Disopropyl 2-hydroxy-3-(4-benzyl-3-methoxybenzyl)-1,4-butanodioate
SpectraBase Compound ID 2GRWJjfLL7G
InChI InChI=1S/C25H32O7/c1-16(2)31-24(27)20(23(26)25(28)32-17(3)4)13-19-11-12-21(22(14-19)29-5)30-15-18-9-7-6-8-10-18/h6-12,14,16-17,20,23,26H,13,15H2,1-5H3/t20-,23+/m1/s1
InChIKey SFDIAWFLLPKTQT-OFNKIYASSA-N
Mol Weight 444.5 g/mol
Molecular Formula C25H32O7
Exact Mass 444.214803 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6zGVZkVfO5S
Name Disopropyl 2-hydroxy-3-(4-benzyl-3-methoxybenzyl)-1,4-butanodioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H32O7
InChI InChI=1S/C25H32O7/c1-16(2)31-24(27)20(23(26)25(28)32-17(3)4)13-19-11-12-21(22(14-19)29-5)30-15-18-9-7-6-8-10-18/h6-12,14,16-17,20,23,26H,13,15H2,1-5H3/t20-,23+/m1/s1
InChIKey SFDIAWFLLPKTQT-OFNKIYASSA-N
Molecular Weight 444.524 g/mol
SMILES O[C@](C(OC(C)C)=O)([C@](C(OC(C)C)=O)(Cc1cc(OC)c(cc1)OCc1ccccc1)[H])[H]
SPLASH splash10-0006-2031900000-13e623868834755cef04
Source of Spectrum J-66-2348-14
Synonyms (2S,3R)-2-hydroxy-3-[(3-methoxy-4-phenylmethoxyphenyl)methyl]butanedioic acid dipropan-2-yl ester dipropan-2-yl (2S,3R)-2-hydroxy-3-[(3-methoxy-4-phenylmethoxyphenyl)methyl]butanedioate diisopropyl (2R,3S)-2-[(4-benzyloxy-3-methoxy-phenyl)methyl]-3-hydroxy-butanedioate dipropan-2-yl (2R,3S)-2-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]-3-oxidanyl-butanedioate
Wiley ID 1534988