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2,8-Dioxabicyclo[3.3.1]non-6-en-3-one, 9-ethenyl-6-[[(2,3,4,6-tetra-O-acetyl-.beta.-D-glucopyranosyl)oxy]methyl]-, (1R-syn)-
SpectraBase Compound ID 6sUbmgp6DJa
InChI InChI=1S/C24H30O13/c1-6-16-17-7-19(29)37-23(16)31-8-15(17)9-32-24-22(35-14(5)28)21(34-13(4)27)20(33-12(3)26)18(36-24)10-30-11(2)25/h6,8,16-18,20-24H,1,7,9-10H2,2-5H3/t16-,17-,18+,20+,21-,22+,23-,24+/m0/s1
InChIKey OILDPULPHWNISI-CMXHEYEWSA-N
Mol Weight 526.49 g/mol
Molecular Formula C24H30O13
Exact Mass 526.168641 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6vr0ljGeu7E
Name 2,8-Dioxabicyclo[3.3.1]non-6-en-3-one, 9-ethenyl-6-[[(2,3,4,6-tetra-O-acetyl-.beta.-D-glucopyranosyl)oxy]methyl]-, (1R-syn)-
CAS Registry Number 104777-66-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H30O13
InChI InChI=1S/C24H30O13/c1-6-16-17-7-19(29)37-23(16)31-8-15(17)9-32-24-22(35-14(5)28)21(34-13(4)27)20(33-12(3)26)18(36-24)10-30-11(2)25/h6,8,16-18,20-24H,1,7,9-10H2,2-5H3/t16-,17-,18+,20+,21-,22+,23-,24+/m0/s1
InChIKey OILDPULPHWNISI-CMXHEYEWSA-N
Molecular Weight 526.491 g/mol
SMILES [C@@]1([C@]([C@](OCC=2[C@]3([C@](C=C)([C@@](OC2)(OC(C3)=O)[H])[H])[H])(O[C@@]([C@]1(OC(=O)C)[H])(COC(=O)C)[H])[H])(OC(=O)C)[H])(OC(=O)C)[H]
SPLASH splash10-052f-6901000000-299754ba67aa1ad55909
Source of Spectrum H-69-1119-2
Synonyms 6-(2,3,4,6-Tetra-O-acetyl-.beta.-D-glucopyranosyloxy)methyl-9-vinyl-2,8-dioxabicyclo[3.3.1]non-6-en-3-on Isoswerosid-tetraacetat Isosweroside tetraacetate [(1R)-7-oxo-9-vinyl-2,8-dioxabicyclo[3.3.1]non-3-en-4-yl]methyl 2,3,4,6-tetra-O-acetyl-.beta.-D-glucopyranoside
Wiley ID 1402768