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1,2-O-Isopropylidene-5-C-(1,1-dimethylmethoxycarbonylmethyl)-.alpha.,D-glucofuranurono-6,3-lactone
SpectraBase Compound ID 1j1oE9kSFMQ
InChI InChI=1S/C14H20O8/c1-12(2,10(15)18-5)14(17)8-6(19-11(14)16)7-9(20-8)22-13(3,4)21-7/h6-9,17H,1-5H3/t6-,7-,8+,9-,14+/m1/s1
InChIKey BBVSSGHKXJIXHC-NLBYVCOYSA-N
Mol Weight 316.31 g/mol
Molecular Formula C14H20O8
Exact Mass 316.115818 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G1H0SjYI9Oe
Name 1,2-O-Isopropylidene-5-C-(1,1-dimethylmethoxycarbonylmethyl)-.alpha.,D-glucofuranurono-6,3-lactone
Alternate Name(s) Methyl 2-[(1S,2R,6R,8S,9S)-9-hydroxy-4,4-dimethyl-10-oxo-3,5,7,11-tetraoxatricyclo[6.3.0.0(2,6)]undecan-9-yl]-2-methylpropanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O8
InChI InChI=1S/C14H20O8/c1-12(2,10(15)18-5)14(17)8-6(19-11(14)16)7-9(20-8)22-13(3,4)21-7/h6-9,17H,1-5H3/t6-,7-,8+,9-,14+/m1/s1
InChIKey BBVSSGHKXJIXHC-NLBYVCOYSA-N
Molecular Weight 316.306 g/mol
SMILES O[C@]1([C@@]2([C@@]([C@]3(OC(O[C@]3(O2)[H])(C)C)[H])(OC1=O)[H])[H])C(C(=O)OC)(C)C
SPLASH splash10-0400-0922000000-dfa29a271b9a304f261d
Source of Spectrum F-50-3343-27
Wiley ID 1316467