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2-tert-Butyl-5-[1-carboxy-2-(4-benzyloxy-3-methoxybenzyl)]dioxolan-4-one
SpectraBase Compound ID 7bubNKuCXCY
InChI InChI=1S/C24H28O7/c1-24(2,3)23-30-20(22(27)31-23)17(21(25)26)12-16-10-11-18(19(13-16)28-4)29-14-15-8-6-5-7-9-15/h5-11,13,17,20,23H,12,14H2,1-4H3,(H,25,26)/t17-,20+,23+/m1/s1
InChIKey ZBTUDIDZGGRZRG-MONBJTKQSA-N
Mol Weight 428.48 g/mol
Molecular Formula C24H28O7
Exact Mass 428.183503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8zrt01CH5GY
Name 2-tert-Butyl-5-[1-carboxy-2-(4-benzyloxy-3-methoxybenzyl)]dioxolan-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H28O7
InChI InChI=1S/C24H28O7/c1-24(2,3)23-30-20(22(27)31-23)17(21(25)26)12-16-10-11-18(19(13-16)28-4)29-14-15-8-6-5-7-9-15/h5-11,13,17,20,23H,12,14H2,1-4H3,(H,25,26)/t17-,20+,23+/m1/s1
InChIKey ZBTUDIDZGGRZRG-MONBJTKQSA-N
Molecular Weight 428.481 g/mol
SMILES OC([C@@]([C@]1(C(O[C@](O1)(C(C)(C)C)[H])=O)[H])(Cc1cc(OC)c(cc1)OCc1ccccc1)[H])=O
SPLASH splash10-0ufr-0091500000-e8bce46ea91dfa6d1b9a
Source of Spectrum J-66-2349-20
Synonyms (2R)-2-[(2S,4S)-2-tert-butyl-5-oxo-1,3-dioxolan-4-yl]-3-(3-methoxy-4-phenylmethoxyphenyl)propanoic acid (2R)-3-(4-benzyloxy-3-methoxy-phenyl)-2-[(2S,4S)-2-tert-butyl-5-oxo-1,3-dioxolan-4-yl]propanoic acid (2R)-2-[(2S,4S)-2-tert-butyl-5-oxidanylidene-1,3-dioxolan-4-yl]-3-(3-methoxy-4-phenylmethoxy-phenyl)propanoic acid
Wiley ID 1534986