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(2R,5S)-1-[(E)-3-keto-3-methoxy-prop-1-enyl]-5-(4-methoxyphenyl)-2-phenyl-3-pyrroline-2,4-dicarboxylic acid dimethyl ester
SpectraBase Compound ID Hnb1oJRo4BZ
InChI InChI=1S/C25H25NO7/c1-30-19-12-10-17(11-13-19)22-20(23(28)32-3)16-25(24(29)33-4,18-8-6-5-7-9-18)26(22)15-14-21(27)31-2/h5-16,22H,1-4H3/b15-14+/t22-,25+/m0/s1
InChIKey RORSXWKHHSASKK-IFPOBUGQSA-N
Mol Weight 451.48 g/mol
Molecular Formula C25H25NO7
Exact Mass 451.163102 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BnMeH142eBf
Name (2R,5S)-1-[(E)-3-keto-3-methoxy-prop-1-enyl]-5-(4-methoxyphenyl)-2-phenyl-3-pyrroline-2,4-dicarboxylic acid dimethyl ester
CAS Registry Number 131786-28-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H25NO7
InChI InChI=1S/C25H25NO7/c1-30-19-12-10-17(11-13-19)22-20(23(28)32-3)16-25(24(29)33-4,18-8-6-5-7-9-18)26(22)15-14-21(27)31-2/h5-16,22H,1-4H3/b15-14+/t22-,25+/m0/s1
InChIKey RORSXWKHHSASKK-IFPOBUGQSA-N
Molecular Weight 451.475 g/mol
SMILES C1(=C[C@](C(=O)OC)(c2ccccc2)N([C@]1(c1ccc(cc1)OC)[H])\C=C\C(=O)OC)C(=O)OC
SPLASH splash10-0w2c-0009400000-5dc3203d56c78b379489
Source of Spectrum F-46-6481-12
Synonyms (2S,5R)-1-[(E)-3-methoxy-3-oxoprop-1-enyl]-2-(4-methoxyphenyl)-5-phenyl-2H-pyrrole-3,5-dicarboxylic acid dimethyl ester Dimethyl (2S,5R)-1-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]-2-(4-methoxyphenyl)-5-phenyl-2H-pyrrole-3,5-dicarboxylate Dimethyl (2S,5R)-1-[(E)-3-methoxy-3-oxo-prop-1-enyl]-2-(4-methoxyphenyl)-5-phenyl-2H-pyrrole-3,5-dicarboxylate
Wiley ID 1387973