{(3R,4aS,8aS)-1-[(R)-1-Phenylethyl]decahydroquinolin-3-yl}methyl 2-(3-Methyl-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate

SpectraBase Compound ID	8LsVvFdbfGP
InChI	InChI=1S/C30H34N2O4/c1-20-16-28(33)32(29(20)34)27-15-9-7-13-25(27)30(35)36-19-22-17-24-12-6-8-14-26(24)31(18-22)21(2)23-10-4-3-5-11-23/h3-5,7,9-11,13,15-16,21-22,24,26H,6,8,12,14,17-19H2,1-2H3/t21-,22-,24+,26+/m1/s1
InChIKey	OKRLKSBCEXYETC-IDKQNPPTSA-N Google Search
Mol Weight	486.6 g/mol
Molecular Formula	C30H34N2O4
Exact Mass	486.251858 g/mol

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SpectraBase Spectrum ID	ACSsneqfrDB
Name	{(3R,4aS,8aS)-1-[(R)-1-Phenylethyl]decahydroquinolin-3-yl}methyl 2-(3-Methyl-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C30H34N2O4
InChI	InChI=1S/C30H34N2O4/c1-20-16-28(33)32(29(20)34)27-15-9-7-13-25(27)30(35)36-19-22-17-24-12-6-8-14-26(24)31(18-22)21(2)23-10-4-3-5-11-23/h3-5,7,9-11,13,15-16,21-22,24,26H,6,8,12,14,17-19H2,1-2H3/t21-,22-,24+,26+/m1/s1
InChIKey	OKRLKSBCEXYETC-IDKQNPPTSA-N
Molecular Weight	486.612 g/mol
SMILES	C1(N(C(C(=C1)C)=O)c1c(C(OC[C@]2(CN([C@@](c3ccccc3)(C)[H])[C@@]3([C@](C2)(CCCC3)[H])[H])[H])=O)cccc1)=O
SPLASH	splash10-052r-0412900000-1e9dc7bde48ca00f5289
Source of Spectrum	U1-2009-1958-17d
Synonyms	2-(3-Methyl-2,5-dioxo-1-pyrrolyl)benzoic acid [(3R,4aS,8aS)-1-[(1R)-1-phenylethyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-3-yl]methyl ester [(3R,4aS,8aS)-1-[(1R)-1-phenylethyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-3-yl]methyl 2-(3-methyl-2,5-dioxopyrrol-1-yl)benzoate [(3R,4aS,8aS)-1-[(1R)-1-phenylethyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-3-yl]methyl 2-(3-methyl-2,5-dioxo-pyrrol-1-yl)benzoate [(3R,4aS,8aS)-1-[(1R)-1-phenylethyl]-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
Wiley ID	1662777