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2-tert-Butyl-5-[.alpha.-(4-benzyloxy-3-methoxybenzyl)]-5-(4-benzyloxy-3-methoxybenzyl)-4-oxodioxolan-5-acetic acid
SpectraBase Compound ID H1rZZJ4aYf0
InChI InChI=1S/C39H42O9/c1-38(2,3)37-47-36(42)39(48-37,23-29-17-19-32(34(22-29)44-5)46-25-27-14-10-7-11-15-27)30(35(40)41)20-28-16-18-31(33(21-28)43-4)45-24-26-12-8-6-9-13-26/h6-19,21-22,30,37H,20,23-25H2,1-5H3,(H,40,41)/t30-,37+,39-/m0/s1
InChIKey XTYIVWNNNXBHCN-DDZSGTBJSA-N
Mol Weight 654.8 g/mol
Molecular Formula C39H42O9
Exact Mass 654.282883 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8dxIBufC8kw
Name 2-tert-Butyl-5-[.alpha.-(4-benzyloxy-3-methoxybenzyl)]-5-(4-benzyloxy-3-methoxybenzyl)-4-oxodioxolan-5-acetic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C39H42O9
InChI InChI=1S/C39H42O9/c1-38(2,3)37-47-36(42)39(48-37,23-29-17-19-32(34(22-29)44-5)46-25-27-14-10-7-11-15-27)30(35(40)41)20-28-16-18-31(33(21-28)43-4)45-24-26-12-8-6-9-13-26/h6-19,21-22,30,37H,20,23-25H2,1-5H3,(H,40,41)/t30-,37+,39-/m0/s1
InChIKey XTYIVWNNNXBHCN-DDZSGTBJSA-N
Molecular Weight 654.756 g/mol
SMILES OC([C@@]([C@]1(C(O[C@](O1)(C(C)(C)C)[H])=O)Cc1cc(OC)c(cc1)OCc1ccccc1)(Cc1cc(OC)c(cc1)OCc1ccccc1)[H])=O
SPLASH splash10-00or-0097014000-2727f3fbd12185ec0d75
Source of Spectrum J-66-2349-21
Synonyms (2R)-2-[(2S,4S)-2-tert-butyl-4-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-oxo-1,3-dioxolan-4-yl]-3-(3-methoxy-4-phenylmethoxyphenyl)propanoic acid (2R)-3-(4-benzyloxy-3-methoxy-phenyl)-2-[(2S,4S)-4-[(4-benzyloxy-3-methoxy-phenyl)methyl]-2-tert-butyl-5-oxo-1,3-dioxolan-4-yl]propanoic acid (2R)-2-[(2S,4S)-2-tert-butyl-4-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]-5-oxidanylidene-1,3-dioxolan-4-yl]-3-(3-methoxy-4-phenylmethoxy-phenyl)propanoic acid
Wiley ID 1534985