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

*Links on SpectraBase are not permalinks.

[3,4,5-Trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] 2,6,6-trimethylcyclohexene-1-carboxylate, 7ac derivative

View entire compound with spectra: 1 NMR

[3,4,5-Trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] 2,6,6-trimethylcyclohexene-1-carboxylate, 7ac derivative
SpectraBase Compound ID FXZGLo4D8vs
InChI InChI=1S/C36H50O19/c1-16-12-11-13-36(9,10)26(16)33(44)55-35-32(52-23(8)43)30(50-21(6)41)28(48-19(4)39)25(54-35)15-46-34-31(51-22(7)42)29(49-20(5)40)27(47-18(3)38)24(53-34)14-45-17(2)37/h24-25,27-32,34-35H,11-15H2,1-10H3
InChIKey UADQOSZHVAEKMK-UHFFFAOYSA-N
Mol Weight 786.8 g/mol
Molecular Formula C36H50O19
Exact Mass 786.294629 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

Subscribe to view the full spectrum.

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

SpectraBase Spectrum ID 7MvPzedMzkq
Name [3,4,5-Trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] 2,6,6-trimethylcyclohexene-1-carboxylate, 7ac derivative
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 786.294629371 u
Formula C36H50O19
InChI InChI=1S/C36H50O19/c1-16-12-11-13-36(9,10)26(16)33(44)55-35-32(52-23(8)43)30(50-21(6)41)28(48-19(4)39)25(54-35)15-46-34-31(51-22(7)42)29(49-20(5)40)27(47-18(3)38)24(53-34)14-45-17(2)37/h24-25,27-32,34-35H,11-15H2,1-10H3
InChIKey UADQOSZHVAEKMK-UHFFFAOYSA-N
Molecular Weight 786.777 g/mol
SMILES C1(=C(CCCC1(C)C)C)C(=O)OC1OC(COC2OC(COC(=O)C)C(C(C2OC(C)=O)OC(=O)C)OC(=O)C)C(C(C1OC(C)=O)OC(=O)C)OC(C)=O