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(2A-R*)-(6A-R*)-(8A-R*)-(12A-R*)-(12B-R*)-12-B-(4-METHYL-PHENYL)-PERHYDRO-ISOINDOLO-[2,1-A]-PERHYDRO-[3,1]-BENZ-OXAZINE-8-ONE
SpectraBase Compound ID AkjVwRuLEVJ
InChI InChI=1S/2C22H29NO2/c2*1-15-10-12-17(13-11-15)22-19-8-4-3-7-18(19)21(24)23(22)20-9-5-2-6-16(20)14-25-22/h2*10-13,16,18-20H,2-9,14H2,1H3/t2*16-,18-,19-,20-,22+/m11/s1
InChIKey AVTIIGHOUPIOQH-JYTCPOGZSA-N
Mol Weight 678.96 g/mol
Molecular Formula C44H58N2O4
Exact Mass 678.439658 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9jTgwgysP63
Name (2A-R*)-(6A-R*)-(8A-R*)-(12A-R*)-(12B-R*)-12-B-(4-METHYL-PHENYL)-PERHYDRO-ISOINDOLO-[2,1-A]-PERHYDRO-[3,1]-BENZ-OXAZINE-8-ONE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H58N2O4
InChI InChI=1S/2C22H29NO2/c2*1-15-10-12-17(13-11-15)22-19-8-4-3-7-18(19)21(24)23(22)20-9-5-2-6-16(20)14-25-22/h2*10-13,16,18-20H,2-9,14H2,1H3/t2*16-,18-,19-,20-,22+/m11/s1
InChIKey AVTIIGHOUPIOQH-JYTCPOGZSA-N
Literature Reference Author P.SOHAR,G.STAJER,K.NAGY,G.BERNATH
Literature Reference Citation MAGN.RES.CHEM.,33,329(1995)
Literature Reference DOI 10.1002/mrc.1260330503
Molecular Weight 678.956 g/mol
Solvent CDCl3
Source File Reference UWRU1604