[(3S*,4aR*,8aR*)-1-Benzyldecahydroquinolin-3-yl]methyl 2-(3-Methyl-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate

SpectraBase Compound ID	2ExZ2Z6yeuf
InChI	InChI=1S/C29H32N2O4/c1-20-15-27(32)31(28(20)33)26-14-8-6-12-24(26)29(34)35-19-22-16-23-11-5-7-13-25(23)30(18-22)17-21-9-3-2-4-10-21/h2-4,6,8-10,12,14-15,22-23,25H,5,7,11,13,16-19H2,1H3/t22-,23+,25+/m0/s1
InChIKey	PMNJTDAVDSJTIB-JBRSBNLGSA-N Google Search
Mol Weight	472.6 g/mol
Molecular Formula	C29H32N2O4
Exact Mass	472.236208 g/mol

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SpectraBase Spectrum ID	61V2ACDab1E
Name	[(3S,4aR,8aR*)-1-Benzyldecahydroquinolin-3-yl]methyl 2-(3-Methyl-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate
Alternate Name(s)	2-(3-Methyl-2,5-dioxo-1-pyrrolyl)benzoic acid [(3S,4aR,8aR)-1-(phenylmethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-3-yl]methyl ester [(3S,4aR,8aR)-1-benzyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-3-yl]methyl 2-(3-methyl-2,5-dioxopyrrol-1-yl)benzoate [(3S,4aR,8aR)-1-benzyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-3-yl]methyl 2-(3-methyl-2,5-dioxo-pyrrol-1-yl)benzoate [(3S,4aR,8aR)-1-(phenylmethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-3-yl]methyl 2-[3-methyl-2,5-bis(oxidanylidene)pyrrol-1-yl]benzoate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C29H32N2O4
InChI	InChI=1S/C29H32N2O4/c1-20-15-27(32)31(28(20)33)26-14-8-6-12-24(26)29(34)35-19-22-16-23-11-5-7-13-25(23)30(18-22)17-21-9-3-2-4-10-21/h2-4,6,8-10,12,14-15,22-23,25H,5,7,11,13,16-19H2,1H3/t22-,23+,25+/m0/s1
InChIKey	PMNJTDAVDSJTIB-JBRSBNLGSA-N
Molecular Weight	472.585 g/mol
SMILES	C1(N(C(C(=C1)C)=O)c1c(C(OC[C@@]2(CN(Cc3ccccc3)[C@]3([C@@](C2)(CCCC3)[H])[H])[H])=O)cccc1)=O
SPLASH	splash10-052f-9000200000-e6828672e974753bf5f6
Source of Spectrum	U1-2009-1957-17b
Wiley ID	1662754