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

*Links on SpectraBase are not permalinks.
METHYL-SPIRITONE;3-BENZOYL-2-METHOXY-8,8-DIMETHYL-1,7-BIS-(3-METHYLBUT-2-ENYL)-5-[5-METHYL-2-(1-METHYLVINYL)-HEXA-4-ENYL]-EXO-BICYCLO-[3.3.1]-NON-
SpectraBase Compound ID LxAZLyg9vP1
InChI InChI=1S/C39H52O4/c1-25(2)17-19-30(28(7)8)23-38-24-31(20-18-26(3)4)37(9,10)39(36(38)42,22-21-27(5)6)35(43-11)32(34(38)41)33(40)29-15-13-12-14-16-29/h12-18,21,30-31H,7,19-20,22-24H2,1-6,8-11H3/t30?,31-,38+,39-/m1/s1
InChIKey OQHWCDPPUZHOOJ-DEQYIAMKSA-N
Mol Weight 584.8 g/mol
Molecular Formula C39H52O4
Exact Mass 584.38656 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 73bC8nODjJu
Name METHYL-SPIRITONE;3-BENZOYL-2-METHOXY-8,8-DIMETHYL-1,7-BIS-(3-METHYLBUT-2-ENYL)-5-[5-METHYL-2-(1-METHYLVINYL)-HEXA-4-ENYL]-EXO-BICYCLO-[3.3.1]-NON-
Compound Number 7A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H52O4
InChI InChI=1S/C39H52O4/c1-25(2)17-19-30(28(7)8)23-38-24-31(20-18-26(3)4)37(9,10)39(36(38)42,22-21-27(5)6)35(43-11)32(34(38)41)33(40)29-15-13-12-14-16-29/h12-18,21,30-31H,7,19-20,22-24H2,1-6,8-11H3/t30?,31-,38+,39-/m1/s1
InChIKey OQHWCDPPUZHOOJ-DEQYIAMKSA-N
Literature Reference Author A.L.M.PORTO,S.M.F.MACHADO,C.M.A.D.OLIVEIRA,V.BITTRICH,M.D.C. E.AMARAL,A.J.MARSAIO
Literature Reference Citation PHYTOCHEM.,55,755(2000)
Literature Reference DOI 10.1016/S0031-9422(00)00292-2
Molecular Weight 584.839 g/mol
Solvent CDCl3
Source File Reference UWLU2603