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

*Links on SpectraBase are not permalinks.
(2R)-5-methoxy-2-[12-(4-methoxyphenyl)dodecyl]-2,4-dimethyl-furan-3-one
SpectraBase Compound ID 4qbsRnpnZ2l
InChI InChI=1S/C26H40O4/c1-21-24(27)26(2,30-25(21)29-4)20-14-12-10-8-6-5-7-9-11-13-15-22-16-18-23(28-3)19-17-22/h16-19H,5-15,20H2,1-4H3/t26-/m1/s1
InChIKey TWEZLEVZYUBSIC-AREMUKBSSA-N
Mol Weight 416.6 g/mol
Molecular Formula C26H40O4
Exact Mass 416.29266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID GEfYIdApq9a
Name (2R)-5-methoxy-2-[12-(4-methoxyphenyl)dodecyl]-2,4-dimethyl-furan-3-one
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H40O4
InChI InChI=1S/C26H40O4/c1-21-24(27)26(2,30-25(21)29-4)20-14-12-10-8-6-5-7-9-11-13-15-22-16-18-23(28-3)19-17-22/h16-19H,5-15,20H2,1-4H3/t26-/m1/s1
InChIKey TWEZLEVZYUBSIC-AREMUKBSSA-N
Instrument Name LRMS
Ionization Type EI
Literature Reference DOI 10.1021/acs.jnatprod.7b00300
Molecular Weight 416.602 g/mol
Optical Rotation [a]D20 = +22 (c = 1.0, CHCl3)
SMILES c1cc(ccc1OC)CCCCCCCCCCCC[C@@]1(C(C(=C(O1)OC)C)=O)C
SPLASH splash10-00dl-0900100000-d2d2314607f7354933bb
Sample Comments major
Source of Spectrum G4-80-2300-7
Wiley ID 1867629