2-[(6-Formyl-benzo[1,3]dioxol-5-yl)-(3,4,5-trimethoxyphenyl)-methyl]-4-oxo-butyric acid tert-buty l ester

SpectraBase Compound ID	J0IPvDpHsUw
InChI	InChI=1S/C26H30O9/c1-26(2,3)35-25(29)17(7-8-27)23(15-9-21(30-4)24(32-6)22(10-15)31-5)18-12-20-19(33-14-34-20)11-16(18)13-28/h8-13,17,23H,7,14H2,1-6H3/t17-,23-/m0/s1
InChIKey	JYBWPIOZPOWISF-SBUREZEXSA-N Google Search
Mol Weight	486.52 g/mol
Molecular Formula	C26H30O9
Exact Mass	486.188983 g/mol

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SpectraBase Spectrum ID	GKti70RbpRH
Name	2-[(6-Formyl-benzo[1,3]dioxol-5-yl)-(3,4,5-trimethoxyphenyl)-methyl]-4-oxo-butyric acid tert-buty l ester
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C26H30O9
InChI	InChI=1S/C26H30O9/c1-26(2,3)35-25(29)17(7-8-27)23(15-9-21(30-4)24(32-6)22(10-15)31-5)18-12-20-19(33-14-34-20)11-16(18)13-28/h8-13,17,23H,7,14H2,1-6H3/t17-,23-/m0/s1
InChIKey	JYBWPIOZPOWISF-SBUREZEXSA-N
Literature Reference DOI	10.1021/ol0630954
Molecular Weight	486.517 g/mol
SMILES	c1c([C@@](c2cc(c(c(c2)OC)OC)OC)([C@@](C(=O)OC(C)(C)C)(CC=O)[H])[H])c(C=O)cc2c1OCO2
SPLASH	splash10-01r2-0139200000-14ad77ee7eff371ee5d3
Source of Spectrum	A1-9-1199/SM7-8
Synonyms	(S)-tert-butyl 2-((R)-(6-formylbenzo[d][1,3]dioxol-5-yl)(3,4,5-trimethoxyphenyl)methyl)-4-oxobutanoate (2S)-2-[(R)-(6-formyl-1,3-benzodioxol-5-yl)-(3,4,5-trimethoxyphenyl)methyl]-4-oxobutanoic acid tert-butyl ester tert-Butyl (2S)-2-[(R)-(6-formyl-1,3-benzodioxol-5-yl)-(3,4,5-trimethoxyphenyl)methyl]-4-oxobutanoate tert-Butyl (2S)-2-[(R)-(6-formyl-1,3-benzodioxol-5-yl)-(3,4,5-trimethoxyphenyl)methyl]-4-oxo-butanoate tert-Butyl (2S)-2-[(R)-(6-methanoyl-1,3-benzodioxol-5-yl)-(3,4,5-trimethoxyphenyl)methyl]-4-oxidanylidene-butanoate
Wiley ID	1757921