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Methyl (1RS,3aSR,4RS,7SR,7aSR)-1,2,3,4,7,7a-Hexahydro-7-(2'-hydroxyethyl)-4,5-dimethyl-3-oxo-1-(phenylmethyl)-3aH-isoindole-3a-carboxylate

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Methyl (1RS,3aSR,4RS,7SR,7aSR)-1,2,3,4,7,7a-Hexahydro-7-(2'-hydroxyethyl)-4,5-dimethyl-3-oxo-1-(phenylmethyl)-3aH-isoindole-3a-carboxylate
SpectraBase Compound ID CR6EvRGJfcU
InChI InChI=1S/C21H27NO4/c1-13-11-16(9-10-23)18-17(12-15-7-5-4-6-8-15)22-19(24)21(18,14(13)2)20(25)26-3/h4-8,11,14,16-18,23H,9-10,12H2,1-3H3,(H,22,24)/t14-,16+,17-,18-,21+/m0/s1
InChIKey OYMQEJPZONJNMP-VNKNLUDZSA-N
Mol Weight 357.45 g/mol
Molecular Formula C21H27NO4
Exact Mass 357.194008 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5pQlVCnRak6
Name METHYL-(1RS,3ASR,4RS,7SR,7ASR)-1,2,3,4,7,7A-HEXAHYDRO-7-(2'-HYDROXYETHYL)-4,5-DIMETHYL-3-OXO-1-(PHENYLMETHYL)-3AH-ISOINDOLE-3A-CARBOXYLATE
Compound Number 37
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H27NO4
InChI InChI=1S/C21H27NO4/c1-13-11-16(9-10-23)18-17(12-15-7-5-4-6-8-15)22-19(24)21(18,14(13)2)20(25)26-3/h4-8,11,14,16-18,23H,9-10,12H2,1-3H3,(H,22,24)/t14-,16+,17-,18-,21+/m0/s1
InChIKey OYMQEJPZONJNMP-VNKNLUDZSA-N
Literature Reference Author M.BOUTELLIER,D.WALLACH,C.TAMM
Literature Reference Citation HELV.CHIM.ACTA,76,2515(1993)
Literature Reference DOI 10.1002/hlca.19930760710
Molecular Weight 357.450 g/mol
Solvent CDCl3
Source File Reference UWVP6611