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(1RS,3aSR,4RS,7RS,7aSR)-4-Ethyl-1,2,3,4,7,7a-hexahydro-6,7-dimethyl-3-oxo-1-(phenylmethyl)-3aH-isoindole-3a,2'-carbolactone

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(1RS,3aSR,4RS,7RS,7aSR)-4-Ethyl-1,2,3,4,7,7a-hexahydro-6,7-dimethyl-3-oxo-1-(phenylmethyl)-3aH-isoindole-3a,2'-carbolactone
SpectraBase Compound ID IeJrZJ8GQ2K
InChI InChI=1S/C20H23NO3/c1-12-10-15-8-9-24-19(23)20(15)17(13(12)2)16(21-18(20)22)11-14-6-4-3-5-7-14/h3-7,10,13,15-17H,8-9,11H2,1-2H3,(H,21,22)/t13-,15+,16+,17?,20-/m1/s1
InChIKey KXRCSQQFKIWXSQ-MVGHPGRJSA-N
Mol Weight 325.41 g/mol
Molecular Formula C20H23NO3
Exact Mass 325.167794 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 36yFLQ52rTw
Name (1RS,3ASR,4RS,7RS,7ASR)-4-ETHYL-1,2,3,4,7,7A-HEXAHYDRO-6,7-DIMETHYL-3-OXO-1-(PHENYLMETHYL)-3AH-ISOINDOLE-3A,2'-CARBOLACTONE
Compound Number 38
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H23NO3
InChI InChI=1S/C20H23NO3/c1-12-10-15-8-9-24-19(23)20(15)17(13(12)2)16(21-18(20)22)11-14-6-4-3-5-7-14/h3-7,10,13,15-17H,8-9,11H2,1-2H3,(H,21,22)/t13-,15+,16+,17?,20-/m1/s1
InChIKey KXRCSQQFKIWXSQ-MVGHPGRJSA-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 325.408 g/mol
Solvent CDCl3
Source File Reference UWVP6610