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

*Links on SpectraBase are not permalinks.
9S-O-[[BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSYL]-HYDROXYBUTYL]-1,1,5-TRIMETHYL-4-CYCLOHEXEN-3-ONE;MINOR-ISOMER
SpectraBase Compound ID Kl56Cx0kptD
InChI InChI=1S/C25H42O12/c1-11-7-13(27)8-25(3,4)14(11)6-5-12(2)35-24-22(33)20(31)18(29)16(37-24)10-34-23-21(32)19(30)17(28)15(9-26)36-23/h7,12,14-24,26,28-33H,5-6,8-10H2,1-4H3/t12-,14?,15+,16-,17+,18-,19-,20+,21+,22-,23+,24-/m0/s1
InChIKey YYNVBNQMBDXSDX-FLHAEBLGSA-N
Mol Weight 534.6 g/mol
Molecular Formula C25H42O12
Exact Mass 534.267627 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 4HWYvpUWX7Y
Name 9S-O-[[BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSYL]-HYDROXYBUTYL]-1,1,5-TRIMETHYL-4-CYCLOHEXEN-3-ONE;MINOR-ISOMER
Compound Number 6+7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H42O12
InChI InChI=1S/C25H42O12/c1-11-7-13(27)8-25(3,4)14(11)6-5-12(2)35-24-22(33)20(31)18(29)16(37-24)10-34-23-21(32)19(30)17(28)15(9-26)36-23/h7,12,14-24,26,28-33H,5-6,8-10H2,1-4H3/t12-,14?,15+,16-,17+,18-,19-,20+,21+,22-,23+,24-/m0/s1
InChIKey YYNVBNQMBDXSDX-FLHAEBLGSA-N
Literature Reference Author W.MAIER,J.SCHMIDT,M.NIMTZ,V.WRAY,D.STRACK
Literature Reference Citation PHYTOCHEM.,54,473(2000)
Literature Reference DOI 10.1016/S0031-9422(00)00047-9
Molecular Weight 534.601 g/mol
Solvent CD3OD
Source File Reference UWLU1319