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

*Links on SpectraBase are not permalinks.

Genistin, hexamethyl ether

View entire compound with spectra: 1 NMR

Genistin, hexamethyl ether
SpectraBase Compound ID IV0mmkiUCql
InChI InChI=1S/C27H32O10/c1-29-14-21-24(32-4)25(33-5)26(34-6)27(37-21)36-17-11-19(31-3)22-20(12-17)35-13-18(23(22)28)15-7-9-16(30-2)10-8-15/h7-13,21,24-27H,14H2,1-6H3/t21-,24-,25+,26-,27-/m1/s1
InChIKey VMGVCOOKJIOCGH-BYBMWWPSSA-N
Mol Weight 516.5 g/mol
Molecular Formula C27H32O10
Exact Mass 516.199547 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 DlmxO7OLFL1
Name Genistin, hexamethyl ether
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 516.199547220 u
Formula C27H32O10
InChI InChI=1S/C27H32O10/c1-29-14-21-24(32-4)25(33-5)26(34-6)27(37-21)36-17-11-19(31-3)22-20(12-17)35-13-18(23(22)28)15-7-9-16(30-2)10-8-15/h7-13,21,24-27H,14H2,1-6H3/t21-,24-,25+,26-,27-/m1/s1
InChIKey VMGVCOOKJIOCGH-BYBMWWPSSA-N
Molecular Weight 516.543 g/mol
SMILES C1=C(C(=O)C2=C(C=C(C=C2O1)O[C@]1([C@](OC)([C@@](OC)([C@](OC)([C@](O1)(COC)[H])[H])[H])[H])[H])OC)C1=CC=C(C=C1)OC