For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 9EjnWKyT47O
Name 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 Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C46H54N2O4
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
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 698.946 g/mol
Solvent CDCl3
Source File Reference UWRU1605