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3,6-METHANO-(2A-R*)-(3R*)-(6S*)-(6A-R*)-(8A-S*)-(12A-R*)-(12B-R*)-12B-(4-METHYLPHENYL)-DECAHYDRO-ISOINDOLO-[2,1-A]-PERHYDRO-[3,1]-BENZOXAZIN-8-ONE

Compound with spectra: 1 NMR

3,6-METHANO-(2A-R*)-(3R*)-(6S*)-(6A-R*)-(8A-S*)-(12A-R*)-(12B-R*)-12B-(4-METHYLPHENYL)-DECAHYDRO-ISOINDOLO-[2,1-A]-PERHYDRO-[3,1]-BENZOXAZIN-8-ONE
SpectraBase Compound ID Hs0fRd96KIm
InChI InChI=1S/2C23H27NO2/c2*1-14-6-10-17(11-7-14)23-20-5-3-2-4-18(20)22(25)24(23)21-16-9-8-15(12-16)19(21)13-26-23/h2*6-11,15-16,18-21H,2-5,12-13H2,1H3/t2*15-,16+,18+,19-,20+,21+,23-/m00/s1
InChIKey VQFBBOKEEUBQOP-LOUNBAQRSA-N
Mol Weight 698.95 g/mol
Molecular Formula C46H54N2O4
Exact Mass 698.408358 g/mol
Enantiomer InChIKey VQFBBOKEEUBQOP-VIUBIAQJSA-N

View Spectrum of 3,6-METHANO-(2A-R*)-(3R*)-(6S*)-(6A-R*)-(8A-S*)-(12A-R*)-(12B-R*)-12B-(4-METHYLPHENYL)-DECAHYDRO-ISOINDOLO-[2,1-A]-PERHYDRO-[3,1]-BENZOXAZIN-8-ONE

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Title Journal or Book Year
Preparation and steric structure of partially saturated isoindolo[1,3]- and -[3,1]benzoxazinones and -[2,4]benzoxazepinones Magnetic Resonance in Chemistry 1995
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