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.alpha.-D-Xylofuranose, 3-C-[(carboxyoxy)methyl]-1,2-O-(1-methylethylidene)-, intramol. 3,3-ester, benzoate
SpectraBase Compound ID Fub6Z3d5XQL
InChI InChI=1S/C17H18O8/c1-16(2)23-12-14(24-16)22-11(17(12)9-21-15(19)25-17)8-20-13(18)10-6-4-3-5-7-10/h3-7,11-12,14H,8-9H2,1-2H3/t11-,12+,14-,17+/m1/s1
InChIKey BWYPVJOCRMOAOI-GNNTXSLPSA-N
Mol Weight 350.32 g/mol
Molecular Formula C17H18O8
Exact Mass 350.100168 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IGo15qbbY8r
Name .alpha.-D-Xylofuranose, 3-C-[(carboxyoxy)methyl]-1,2-O-(1-methylethylidene)-, intramol. 3,3-ester, benzoate
CAS Registry Number 64775-13-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18O8
InChI InChI=1S/C17H18O8/c1-16(2)23-12-14(24-16)22-11(17(12)9-21-15(19)25-17)8-20-13(18)10-6-4-3-5-7-10/h3-7,11-12,14H,8-9H2,1-2H3/t11-,12+,14-,17+/m1/s1
InChIKey BWYPVJOCRMOAOI-GNNTXSLPSA-N
Molecular Weight 350.323 g/mol
SMILES [C@@]12([C@@]3([C@@](OC(O3)(C)C)(O[C@@]1(COC(=O)c1ccccc1)[H])[H])[H])OC(=O)OC2
SPLASH splash10-0a6r-2932000000-2ac86c8e55c9c4e45fb1
Source of Spectrum H-60-1988-0
Synonyms Spiro[1,3-dioxolane-4,6'(5'H)-furo[2,3-d][1,3]dioxole], .alpha.-D-xylofuranose deriv. (2S,2'R,3'aR,6'aR)-5',5'-dimethyl-5-oxo-tetrahydrospiro[1,4-dioxolane-2,1'-furo[2,3-d][1,3]dioxole]-2'-ylmethyl benzoate 5-O-benzoyl-3,3'-O-carbonyl-1,2-O-isopropylidene-3-c-hydroxymethyl-.alpha.-D-xylofuranose
Wiley ID 1341799