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1,2,4,5,6-Penta-O-acetyl-3,8-anhydro-.beta.-D-altro-L-glycerooctulopyranose
SpectraBase Compound ID LjwscKbO9xe
InChI InChI=1S/C18H24O12/c1-8(19)24-7-14(26-9(2)20)18-17(29-12(5)23)16(28-11(4)22)15(27-10(3)21)13(30-18)6-25-18/h13-17H,6-7H2,1-5H3/t13-,14?,15-,16?,17?,18-/m1/s1
InChIKey XYVNAGKURXMERO-HUFOVHDFSA-N
Mol Weight 432.38 g/mol
Molecular Formula C18H24O12
Exact Mass 432.126776 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5pElUGkQgNF
Name 1,2,4,5,6-Penta-O-acetyl-3,8-anhydro-.beta.-D-altro-L-glycerooctulopyranose
Alternate Name(s) Acetic acid [2-acetyloxy-2-(2,3,4-triacetyloxy-6,8-dioxabicyclo[3.2.1]octan-5-yl)ethyl] ester [2-acetyloxy-2-(2,3,4-triacetyloxy-6,8-dioxabicyclo[3.2.1]octan-5-yl)ethyl] acetate [2-acetoxy-2-(2,3,4-triacetoxy-6,8-dioxabicyclo[3.2.1]octan-5-yl)ethyl] acetate [2-acetyloxy-2-(2,3,4-triacetyloxy-6,8-dioxabicyclo[3.2.1]octan-5-yl)ethyl] ethanoate
CAS Registry Number 78174-74-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H24O12
InChI InChI=1S/C18H24O12/c1-8(19)24-7-14(26-9(2)20)18-17(29-12(5)23)16(28-11(4)22)15(27-10(3)21)13(30-18)6-25-18/h13-17H,6-7H2,1-5H3/t13-,14?,15-,16?,17?,18-/m1/s1
InChIKey XYVNAGKURXMERO-HUFOVHDFSA-N
Molecular Weight 432.378 g/mol
SMILES [C@@]12(OC[C@@](O2)([C@@](OC(C)=O)(C(C1OC(=O)C)OC(C)=O)[H])[H])C(COC(C)=O)OC(C)=O
SPLASH splash10-0006-9200000000-2642548b9b3f9dca404f
Source of Spectrum W5-1989-25143-1
Wiley ID 1382109