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1H-Pyrrole-3-propanoic acid, 5-[(1,1-dimethylethoxy)carbonyl]-2-[[5-formyl-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxy-2-oxo ethyl)-, methyl ester
SpectraBase Compound ID DcX7RpgY2XC
InChI InChI=1S/C29H38N2O11/c1-29(2,3)42-28(37)27-19(13-26(36)41-7)17(9-11-24(34)39-5)21(31-27)14-20-16(8-10-23(33)38-4)18(12-25(35)40-6)22(15-32)30-20/h15,30-31H,8-14H2,1-7H3
InChIKey VTBXFGVJRGXNIJ-UHFFFAOYSA-N
Mol Weight 590.6 g/mol
Molecular Formula C29H38N2O11
Exact Mass 590.24756 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5n1BWVXF5cL
Name 1H-Pyrrole-3-propanoic acid, 5-[(1,1-dimethylethoxy)carbonyl]-2-[[5-formyl-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxy-2-oxo ethyl)-, methyl ester
CAS Registry Number 84315-36-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H38N2O11
InChI InChI=1S/C29H38N2O11/c1-29(2,3)42-28(37)27-19(13-26(36)41-7)17(9-11-24(34)39-5)21(31-27)14-20-16(8-10-23(33)38-4)18(12-25(35)40-6)22(15-32)30-20/h15,30-31H,8-14H2,1-7H3
InChIKey VTBXFGVJRGXNIJ-UHFFFAOYSA-N
Molecular Weight 590.626 g/mol
SMILES [nH]1c(c(c(c1Cc1c(c(CC(=O)OC)c([nH]1)C=O)CCC(=O)OC)CCC(=O)OC)CC(=O)OC)C(OC(C)(C)C)=O
SPLASH splash10-001l-0000590000-b91b2bcca6f69aef1cbd
Source of Spectrum KC-1982-2423-0
Synonyms t-Butyl 5'-formyl-3,3'-di-(2-methoxycarbonylethyl)-4,4'-bismethoxycarbonylmethyl-2,2'-methylenedipyrrole-5-carboxylate tert-Butyl 5-{[5-formyl-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrol-2-yl]methyl}-3-(2-methoxy-2-oxoethyl)-4-(3-methoxy-3-oxopropyl)-1H-pyrrole-2-carboxylate
Wiley ID 1409316