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.beta.-D-Glucopyranoside, 4-(2-propenyl)phenyl, 2,3,4-triacetate
SpectraBase Compound ID I59MSOAuTvN
InChI InChI=1S/C21H26O9/c1-5-6-15-7-9-16(10-8-15)29-21-20(28-14(4)25)19(27-13(3)24)18(26-12(2)23)17(11-22)30-21/h5,7-10,17-22H,1,6,11H2,2-4H3/t17-,18-,19+,20-,21-/m1/s1
InChIKey IKBHUELUCTXHLS-YMQHIKHWSA-N
Mol Weight 422.43 g/mol
Molecular Formula C21H26O9
Exact Mass 422.157682 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4hGjMgkHbej
Name .beta.-D-Glucopyranoside, 4-(2-propenyl)phenyl, 2,3,4-triacetate
Alternate Name(s) 1-p-allylphenyl 2,3,4-tri-O-acetyl-.beta.d-glucopyranoside 4-Allylphenyl 2,3,4-tri-O-acetyl-.beta.-D-glucopyranoside
CAS Registry Number 95058-15-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26O9
InChI InChI=1S/C21H26O9/c1-5-6-15-7-9-16(10-8-15)29-21-20(28-14(4)25)19(27-13(3)24)18(26-12(2)23)17(11-22)30-21/h5,7-10,17-22H,1,6,11H2,2-4H3/t17-,18-,19+,20-,21-/m1/s1
InChIKey IKBHUELUCTXHLS-YMQHIKHWSA-N
Molecular Weight 422.430 g/mol
SMILES OC[C@]1(O[C@]([C@@]([C@]([C@@]1(OC(=O)C)[H])(OC(=O)C)[H])(OC(=O)C)[H])(Oc1ccc(cc1)CC=C)[H])[H]
SPLASH splash10-004r-0940000000-97dcd446a93dcd7c6392
Source of Spectrum AJ-57-2895-11
Wiley ID 1378523