John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=ITtLpOpVzxj SpectraBase Spectrum ID=APZ48SAFGvA

(accessed ).
Methyl 2,3,4-Tri-O-acetyl-.beta.-O-cinnamylglucuronate
SpectraBase Compound ID ITtLpOpVzxj
InChI InChI=1S/C22H26O10/c1-13(23)29-17-18(30-14(2)24)20(31-15(3)25)22(32-19(17)21(26)27-4)28-12-8-11-16-9-6-5-7-10-16/h5-11,17-20,22H,12H2,1-4H3/b11-8+
InChIKey ASCAQWPOEMLDCS-DHZHZOJOSA-N
Mol Weight 450.44 g/mol
Molecular Formula C22H26O10
Exact Mass 450.152597 g/mol

Mass Spectrum (MS)

Mass Spectrum (MS)

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SpectraBase Spectrum ID APZ48SAFGvA
Name Methyl 2,3,4-Tri-O-acetyl-.beta.-O-cinnamylglucuronate
Alternate Name(s) Methyl 2,3,4-Tri-O-acetyl-.alpha.-O-cinnamylglucuronate Methyl (2E)-3-phenyl-2-propenyl 2,3,4-tri-O-acetylhexopyranosiduronate
CAS Registry Number 97337-66-1
Classification Fatty acyl glycosides of mono- and disaccharides
Copyright Copyright © 2020-2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H26O10
InChI InChI=1S/C22H26O10/c1-13(23)29-17-18(30-14(2)24)20(31-15(3)25)22(32-19(17)21(26)27-4)28-12-8-11-16-9-6-5-7-10-16/h5-11,17-20,22H,12H2,1-4H3/b11-8+
InChIKey ASCAQWPOEMLDCS-DHZHZOJOSA-N
SPLASH splash10-0670-0900000000-d47b64a417ec574c7283
Source of Spectrum J-50-3565-33
SpectraBase Batch ID 7BuGLCQS7Rb