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9,12-METHANO-(1A-R*)-(5A-S*)-(8A-S*)-(9S*)-(12R*)-(12A-R*)-(12B-R*)-12B-(4-METHYLPHENYL)-PERHYDRO-ISOINDOLO-[1,2-B]-PERHYDRO-[1,3]-BENZOXAZIN-8-ONE
SpectraBase Compound ID 4J0FiraGLnS
InChI InChI=1S/2C23H29NO2/c2*1-14-6-10-18(11-7-14)23-21-16-9-8-15(12-16)20(21)22(25)24(23)13-17-4-2-3-5-19(17)26-23/h2*6-7,10-11,15-17,19-21H,2-5,8-9,12-13H2,1H3/t2*15-,16+,17-,19+,20-,21+,23-/m00/s1
InChIKey PPDRAHJLCLHXAW-USLZTBEXSA-N
Mol Weight 702.98 g/mol
Molecular Formula C46H58N2O4
Exact Mass 702.439658 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JisLlbpt2Ac
Name 9,12-METHANO-(1A-R*)-(5A-S*)-(8A-S*)-(9S*)-(12R*)-(12A-R*)-(12B-R*)-12B-(4-METHYLPHENYL)-PERHYDRO-ISOINDOLO-[1,2-B]-PERHYDRO-[1,3]-BENZOXAZIN-8-ONE
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C46H58N2O4
InChI InChI=1S/2C23H29NO2/c2*1-14-6-10-18(11-7-14)23-21-16-9-8-15(12-16)20(21)22(25)24(23)13-17-4-2-3-5-19(17)26-23/h2*6-7,10-11,15-17,19-21H,2-5,8-9,12-13H2,1H3/t2*15-,16+,17-,19+,20-,21+,23-/m00/s1
InChIKey PPDRAHJLCLHXAW-USLZTBEXSA-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 702.978 g/mol
Solvent CDCl3
Source File Reference UWRU1607