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

*Links on SpectraBase are not permalinks.

3-(2',3'-Diacetoxy-3'-methylbutyl)-resveratrol - diacetate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

3-(2',3'-Diacetoxy-3'-methylbutyl)-resveratrol - diacetate
SpectraBase Compound ID CuNvItBIqbV
InChI InChI=1S/C27H30O9/c1-16(28)33-23-12-21(13-24(15-23)34-17(2)29)8-7-20-9-10-25(35-18(3)30)22(11-20)14-26(27(5,6)32)36-19(4)31/h7-13,15,26,32H,14H2,1-6H3/b8-7+/t26-/m0/s1
InChIKey JDTFUIMHRBWPHR-GJTXFRBNSA-N
Mol Weight 498.53 g/mol
Molecular Formula C27H30O9
Exact Mass 498.188983 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 HGuuCkWxyWB
Name 3-(2',3'-Diacetoxy-3'-methylbutyl)-resveratrol - diacetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 498.188982537 u
Formula C27H30O9
InChI InChI=1S/C27H30O9/c1-16(28)33-23-12-21(13-24(15-23)34-17(2)29)8-7-20-9-10-25(35-18(3)30)22(11-20)14-26(27(5,6)32)36-19(4)31/h7-13,15,26,32H,14H2,1-6H3/b8-7+/t26-/m0/s1
InChIKey JDTFUIMHRBWPHR-GJTXFRBNSA-N
Molecular Weight 498.528 g/mol
SMILES C=1(C(OC(=O)C)=CC=C(\C=C\C=2C=C(OC(=O)C)C=C(C2)OC(=O)C)C1)C[C@](OC(=O)C)(C(O)(C)C)[H]