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49;METHYL-(1RS,3ASR,4RS,7RS,7ASR)-4-[(1,3-DITHIAN-2-YL)-METHYL]-1,2,3,4,7,7A-HEXAHYDRO-6,7-DIMETHYL-3-OXO-1-(PHENYLMETHYL)-3AH-ISOINDOLE-3A-CARBOXYLATE

View entire compound with spectra: 1 NMR

49;METHYL-(1RS,3ASR,4RS,7RS,7ASR)-4-[(1,3-DITHIAN-2-YL)-METHYL]-1,2,3,4,7,7A-HEXAHYDRO-6,7-DIMETHYL-3-OXO-1-(PHENYLMETHYL)-3AH-ISOINDOLE-3A-CARBOXYLATE
SpectraBase Compound ID 7LupqpSeqMM
InChI InChI=1S/C24H31NO3S2/c1-15-12-18(14-20-29-10-7-11-30-20)24(23(27)28-3)21(16(15)2)19(25-22(24)26)13-17-8-5-4-6-9-17/h4-6,8-9,12,16,18-21H,7,10-11,13-14H2,1-3H3,(H,25,26)/t16-,18-,19+,21+,24-/m1/s1
InChIKey XVRHLRBCPNIMPO-GVLXJJNQSA-N
Mol Weight 445.64 g/mol
Molecular Formula C24H31NO3S2
Exact Mass 445.174536 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BPqTdCTuTgE
Name 49;METHYL-(1RS,3ASR,4RS,7RS,7ASR)-4-[(1,3-DITHIAN-2-YL)-METHYL]-1,2,3,4,7,7A-HEXAHYDRO-6,7-DIMETHYL-3-OXO-1-(PHENYLMETHYL)-3AH-ISOINDOLE-3A-CARBOXYLATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H31NO3S2
InChI InChI=1S/C24H31NO3S2/c1-15-12-18(14-20-29-10-7-11-30-20)24(23(27)28-3)21(16(15)2)19(25-22(24)26)13-17-8-5-4-6-9-17/h4-6,8-9,12,16,18-21H,7,10-11,13-14H2,1-3H3,(H,25,26)/t16-,18-,19+,21+,24-/m1/s1
InChIKey XVRHLRBCPNIMPO-GVLXJJNQSA-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 445.635 g/mol
Solvent CDCl3
Source File Reference UWVP6619