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

*Links on SpectraBase are not permalinks.

Isolupalbigenin, trimethyl ether

View entire compound with spectra: 1 NMR

Isolupalbigenin, trimethyl ether
SpectraBase Compound ID Ie3uuQ6UkiR
InChI InChI=1S/C28H32O5/c1-17(2)8-10-20-14-19(11-13-23(20)30-5)22-16-33-28-21(12-9-18(3)4)24(31-6)15-25(32-7)26(28)27(22)29/h8-9,11,13-16H,10,12H2,1-7H3
InChIKey PQLFDHUGWHHXPM-UHFFFAOYSA-N
Mol Weight 448.6 g/mol
Molecular Formula C28H32O5
Exact Mass 448.224974 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 H5aolWDpJwR
Name Isolupalbigenin, trimethyl ether
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 448.224974125 u
Formula C28H32O5
InChI InChI=1S/C28H32O5/c1-17(2)8-10-20-14-19(11-13-23(20)30-5)22-16-33-28-21(12-9-18(3)4)24(31-6)15-25(32-7)26(28)27(22)29/h8-9,11,13-16H,10,12H2,1-7H3
InChIKey PQLFDHUGWHHXPM-UHFFFAOYSA-N
Molecular Weight 448.559 g/mol
SMILES C1(=C2OC=C(C(C2=C(OC)C=C1OC)=O)C1=CC(=C(C=C1)OC)CC=C(C)C)CC=C(C)C