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.beta.-D-Glucopyranoside, 2-[(acetyloxy)methyl]phenyl, tetraacetate
SpectraBase Compound ID G8dc1hPyiag
InChI InChI=1S/C23H28O12/c1-12(24)29-10-17-8-6-7-9-18(17)34-23-22(33-16(5)28)21(32-15(4)27)20(31-14(3)26)19(35-23)11-30-13(2)25/h6-9,19-23H,10-11H2,1-5H3/t19-,20-,21+,22-,23+/m1/s1
InChIKey XFAZHUZHNMSADV-ZQGJOIPISA-N
Mol Weight 496.47 g/mol
Molecular Formula C23H28O12
Exact Mass 496.158076 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1RZjXkGPEu
Name .beta.-D-Glucopyranoside, 2-[(acetyloxy)methyl]phenyl, tetraacetate
Alternate Name(s) 2-[(2,3,4,6-tetra-O-acetyl-.alpha.-D-glucopyranosyl)oxy]benzyl acetate Salicin, pentaacetate
CAS Registry Number 16643-37-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H28O12
InChI InChI=1S/C23H28O12/c1-12(24)29-10-17-8-6-7-9-18(17)34-23-22(33-16(5)28)21(32-15(4)27)20(31-14(3)26)19(35-23)11-30-13(2)25/h6-9,19-23H,10-11H2,1-5H3/t19-,20-,21+,22-,23+/m1/s1
InChIKey XFAZHUZHNMSADV-ZQGJOIPISA-N
Molecular Weight 496.465 g/mol
SMILES [C@@]1([C@]([C@](OC(=O)C)([C@](O[C@@]1(Oc1c(COC(=O)C)cccc1)[H])(COC(=O)C)[H])[H])(OC(=O)C)[H])(OC(=O)C)[H]
SPLASH splash10-017m-8911000000-0af1d8d32d63787a6b49
Source of Spectrum AD-0-1969-0
Wiley ID 62827