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(2S,3S)-tert-butyl 2-benzyl-3-(6-formylbenzo[d][1,3]dioxol-5-yl)-3-(3,4,5-trimethoxyphenyl)methyl)propanoate
SpectraBase Compound ID 2G8YVO6aLE5
InChI InChI=1S/C31H34O8/c1-31(2,3)39-30(33)23(12-19-10-8-7-9-11-19)28(20-13-26(34-4)29(36-6)27(14-20)35-5)22-16-25-24(37-18-38-25)15-21(22)17-32/h7-11,13-17,23,28H,12,18H2,1-6H3/t23-,28-/m0/s1
InChIKey RSQFSVMYSUHKTA-FIPFOOKPSA-N
Mol Weight 534.6 g/mol
Molecular Formula C31H34O8
Exact Mass 534.225368 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID binAsCjXt3
Name (2S,3S)-tert-butyl 2-benzyl-3-(6-formylbenzo[d][1,3]dioxol-5-yl)-3-(3,4,5-trimethoxyphenyl)methyl)propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H34O8
InChI InChI=1S/C31H34O8/c1-31(2,3)39-30(33)23(12-19-10-8-7-9-11-19)28(20-13-26(34-4)29(36-6)27(14-20)35-5)22-16-25-24(37-18-38-25)15-21(22)17-32/h7-11,13-17,23,28H,12,18H2,1-6H3/t23-,28-/m0/s1
InChIKey RSQFSVMYSUHKTA-FIPFOOKPSA-N
Literature Reference DOI 10.1021/ol8026208
Molecular Weight 534.605 g/mol
SMILES c1c([C@](c2cc(c(c(c2)OC)OC)OC)([C@](Cc2ccccc2)(C(=O)OC(C)(C)C)[H])[H])c(C=O)cc2c1OCO2
SPLASH splash10-004i-1159210000-5bf40107f4e477040970
Source of Spectrum A1-11-597/SM9-14
Synonyms (2S,3S)-tert-butyl 2-benzyl-3-(6-formylbenzo[d][1,3]dioxol-5-yl)-3-(3,4,5-trimethoxyphenyl)propanoate
Wiley ID 1756509