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2-[(6-Formyl-benzo[1,3]dioxol-5-yl)-(3,4,5-trimethoxy-phenyl)-methyl]-4,5-dihydroxy-pentanoic acid tert-butyl ester
SpectraBase Compound ID pW4g6jg5ZU
InChI InChI=1S/C27H34O10/c1-27(2,3)37-26(31)19(10-17(30)13-29)24(15-7-22(32-4)25(34-6)23(8-15)33-5)18-11-21-20(35-14-36-21)9-16(18)12-28/h7-9,11-12,17,19,24,29-30H,10,13-14H2,1-6H3/t17?,19-,24+/m0/s1
InChIKey NNQISJOPBIVXAC-IGWDXCHXSA-N
Mol Weight 518.6 g/mol
Molecular Formula C27H34O10
Exact Mass 518.215197 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bj0YbV71lMi
Name 2-[(6-Formyl-benzo[1,3]dioxol-5-yl)-(3,4,5-trimethoxy-phenyl)-methyl]-4,5-dihydroxy-pentanoic acid tert-butyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H34O10
InChI InChI=1S/C27H34O10/c1-27(2,3)37-26(31)19(10-17(30)13-29)24(15-7-22(32-4)25(34-6)23(8-15)33-5)18-11-21-20(35-14-36-21)9-16(18)12-28/h7-9,11-12,17,19,24,29-30H,10,13-14H2,1-6H3/t17?,19-,24+/m0/s1
InChIKey NNQISJOPBIVXAC-IGWDXCHXSA-N
Literature Reference DOI 10.1021/ol0630954
Molecular Weight 518.559 g/mol
SMILES OCC(C[C@@]([C@@](c1cc2OCOc2cc1C=O)(c1cc(c(c(c1)OC)OC)OC)[H])(C(=O)OC(C)(C)C)[H])O
SPLASH splash10-004m-0289500000-726363a3e272c52852e0
Source of Spectrum A1-9-1199/SM6-7a
Synonyms (2S)-tert-butyl 2-((R)-(6-formylbenzo[d][1,3]dioxol-5-yl)(3,4,5-trimethoxyphenyl)methyl)-4,5-dihydroxypentanoate
Wiley ID 1757920