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

*Links on SpectraBase are not permalinks.
1S-4-(3S-3-HYDROXYBUTYL)-3,5,5-TRIMETHYLCYCLOHEX-3-ENYL-BETA-D-GLUCOPYRANOSIDE-PERACETYLATED
SpectraBase Compound ID EC6vFxKEVol
InChI InChI=1S/C29H44O12/c1-15-12-22(13-29(8,9)23(15)11-10-16(2)36-18(4)31)40-28-27(39-21(7)34)26(38-20(6)33)25(37-19(5)32)24(41-28)14-35-17(3)30/h16,22,24-28H,10-14H2,1-9H3/t16-,22+,24-,25-,26+,27-,28-/m1/s1
InChIKey OVIFXVZHTRQSPS-WPTLWWLMSA-N
Mol Weight 584.7 g/mol
Molecular Formula C29H44O12
Exact Mass 584.283277 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 Jr70EnRR05I
Name 1S-4-(3S-3-HYDROXYBUTYL)-3,5,5-TRIMETHYLCYCLOHEX-3-ENYL-BETA-D-GLUCOPYRANOSIDE-PERACETYLATED
Compound Number 12A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H44O12
InChI InChI=1S/C29H44O12/c1-15-12-22(13-29(8,9)23(15)11-10-16(2)36-18(4)31)40-28-27(39-21(7)34)26(38-20(6)33)25(37-19(5)32)24(41-28)14-35-17(3)30/h16,22,24-28H,10-14H2,1-9H3/t16-,22+,24-,25-,26+,27-,28-/m1/s1
InChIKey OVIFXVZHTRQSPS-WPTLWWLMSA-N
Literature Reference Author Y.YAMANO,Y.SHIMIZU,M.ITO
Literature Reference Citation CHEM.PHARM.BULL.,51,878(2003)
Literature Reference DOI 10.1248/cpb.51.878
Molecular Weight 584.661 g/mol
Solvent CDCl3
Source File Reference UWLU20093