RAC-9-(TERT.-BUTOXYCARBONYL)-4,5-DIHYDRO-3-(2-HYDROXYETHYL)-8-[2-(METHOXYCARBONYL)-ETHYL]-2,7-DIMETHYL-DIPYRRIN-1(10H)-ONE

SpectraBase Compound ID	Ds1MM5doIsU
InChI	InChI=1S/C22H32N2O6/c1-12-15(7-8-18(26)29-6)19(21(28)30-22(3,4)5)23-16(12)11-17-14(9-10-25)13(2)20(27)24-17/h17,23,25H,7-11H2,1-6H3,(H,24,27)
InChIKey	PDOJVYFYORPIEN-UHFFFAOYSA-N Google Search
Mol Weight	420.5 g/mol
Molecular Formula	C22H32N2O6
Exact Mass	420.226037 g/mol

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SpectraBase Spectrum ID	1skFmPRGhCk
Name	1H-Pyrrole-3-propanoic acid, 5-[[2,5-dihydro-3-(2-hydroxyethyl)-4-methyl-5-oxo-1H-pyrrol-2-yl]methyl]-2-[(1,1-dimethylethoxy)carbonyl]-4-methyl-, methyl ester, (.+-.)-
CAS Registry Number	125090-49-5
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C22H32N2O6
InChI	InChI=1S/C22H32N2O6/c1-12-15(7-8-18(26)29-6)19(21(28)30-22(3,4)5)23-16(12)11-17-14(9-10-25)13(2)20(27)24-17/h17,23,25H,7-11H2,1-6H3,(H,24,27)
InChIKey	PDOJVYFYORPIEN-UHFFFAOYSA-N
Molecular Weight	420.506 g/mol
SMILES	[nH]1c(c(c(c1CC1C(CCO)=C(C)C(N1)=O)C)CCC(=O)OC)C(OC(C)(C)C)=O
SPLASH	splash10-00di-0390300000-03d22a5adbf248ab09ca
Source of Spectrum	H-72-526-12
Synonyms	rac-9-(t-butoxycarbonyl)-4,5-dihydro-3-(2-hydroxyethyl)-8-[2-(methoxycarbonyl}ethyl]-2,7-dimethyldipyrrin-1(10H)-one tert-Butyl 5-{[3-(2-hydroxyethyl)-4-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]methyl}-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrole-2-carboxylate
Wiley ID	1377932