1a,7a-Dimethyl-1a,4,7,7a,7b-hexahydro-3aH-1-oxa-6-azacycloropa[a]naphthalene-3,6-dicarrboxylic acid 6-Benzyl ester 3-Ethyl ester isomer

SpectraBase Compound ID	BAoebZDaSCm
InChI	InChI=1S/C22H27NO5/c1-4-26-18(24)16-12-22(3)19(28-22)21(2)14-23(11-10-17(16)21)20(25)27-13-15-8-6-5-7-9-15/h5-9,12,17,19H,4,10-11,13-14H2,1-3H3/t17-,19-,21-,22+/m0/s1
InChIKey	YOSSGJBOMSTWOV-XODARUQUSA-N Google Search
Mol Weight	385.46 g/mol
Molecular Formula	C22H27NO5
Exact Mass	385.188923 g/mol

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SpectraBase Spectrum ID	GgYNLHpzOhf
Name	1a,7a-Dimethyl-1a,4,7,7a,7b-hexahydro-3aH-1-oxa-6-azacycloropa[a]naphthalene-3,6-dicarrboxylic acid 6-Benzyl ester 3-Ethyl ester isomer
Alternate Name(s)	1a,7a-Dimethyl-1a,4,7,7a,7b-hexahydro-3aH-1-oxa-6-azacycloropa[a]naphthalene-3,6-dicarrboxylic acid 6-Benzyl ester 3-Ethyl ester (1aR,3aR,7aR,7bS)-1a,7a-dimethyl-4,5,7,7b-tetrahydro-3aH-oxireno[2,3-h]isoquinoline-3,6-dicarboxylic acid O3-ethyl ester O6-(phenylmethyl) ester 6-O-benzyl 3-O-ethyl (1aR,3aR,7aR,7bS)-1a,7a-dimethyl-4,5,7,7b-tetrahydro-3aH-oxireno[2,3-h]isoquinoline-3,6-dicarboxylate O6-benzyl O3-ethyl (1aR,3aR,7aR,7bS)-1a,7a-dimethyl-4,5,7,7b-tetrahydro-3aH-oxireno[2,3-h]isoquinoline-3,6-dicarboxylate O3-ethyl O6-(phenylmethyl) (1aR,3aR,7aR,7bS)-1a,7a-dimethyl-4,5,7,7b-tetrahydro-3aH-oxireno[2,3-h]isoquinoline-3,6-dicarboxylate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C22H27NO5
InChI	InChI=1S/C22H27NO5/c1-4-26-18(24)16-12-22(3)19(28-22)21(2)14-23(11-10-17(16)21)20(25)27-13-15-8-6-5-7-9-15/h5-9,12,17,19H,4,10-11,13-14H2,1-3H3/t17-,19-,21-,22+/m0/s1
InChIKey	YOSSGJBOMSTWOV-XODARUQUSA-N
Molecular Weight	385.460 g/mol
SMILES	[C@@]12([C@]([C@]3(CN(C(OCc4ccccc4)=O)CC[C@]3(C(=C1)C(=O)OCC)[H])C)(O2)[H])C
SPLASH	splash10-0f6x-7095000000-6f9d0c20e1afd3a3f743
Source of Spectrum	J-67-1894-19
Wiley ID	1569214