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(2S,3S)-2-(3,4-dimethoxyphenyl)-4-[(E)-3-keto-3-methoxy-prop-1-enyl]-7-methoxy-coumaran-3-carboxylic acid methyl ester
SpectraBase Compound ID 96gPYNCZ1pi
InChI InChI=1S/C23H24O8/c1-26-15-9-7-14(12-17(15)28-3)21-20(23(25)30-5)19-13(8-11-18(24)29-4)6-10-16(27-2)22(19)31-21/h6-12,20-21H,1-5H3/b11-8+/t20-,21+/m0/s1
InChIKey MJADXYZFBMLHHG-FFLQPZBESA-N
Mol Weight 428.44 g/mol
Molecular Formula C23H24O8
Exact Mass 428.147118 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ByDXeSBI076
Name (2S,3S)-2-(3,4-dimethoxyphenyl)-4-[(E)-3-keto-3-methoxy-prop-1-enyl]-7-methoxy-coumaran-3-carboxylic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H24O8
InChI InChI=1S/C23H24O8/c1-26-15-9-7-14(12-17(15)28-3)21-20(23(25)30-5)19-13(8-11-18(24)29-4)6-10-16(27-2)22(19)31-21/h6-12,20-21H,1-5H3/b11-8+/t20-,21+/m0/s1
InChIKey MJADXYZFBMLHHG-FFLQPZBESA-N
Molecular Weight 428.437 g/mol
SMILES [C@@]1([C@](Oc2c1c(\C=C\C(=O)OC)ccc2OC)(c1cc(OC)c(cc1)OC)[H])(C(=O)OC)[H]
SPLASH splash10-002r-0009400000-bc4357e4be677851796f
Source of Spectrum E1-37-343-6
Synonyms (2S,3S)-2-(3,4-dimethoxyphenyl)-7-methoxy-4-[(E)-3-methoxy-3-oxoprop-1-enyl]-2,3-dihydrobenzofuran-3-carboxylic acid methyl ester Methyl (2S,3S)-2-(3,4-dimethoxyphenyl)-7-methoxy-4-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]-2,3-dihydro-1-benzofuran-3-carboxylate Methyl (2S,3S)-2-(3,4-dimethoxyphenyl)-7-methoxy-4-[(E)-3-methoxy-3-oxo-prop-1-enyl]-2,3-dihydrobenzofuran-3-carboxylate Methyl (2S,3S)-2-(3,4-dimethoxyphenyl)-7-methoxy-4-[(E)-3-methoxy-3-oxoprop-1-enyl]-2,3-dihydro-1-benzofuran-3-carboxylate
Wiley ID 1517606