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3-Deoxy-3-C-[(6-deoxy-1,2:3,4-di-O-isopropylidene-.alpha.-D-galactopyranos-6-yl)methyl]-1,2:5,6-di-O-isopropylidene-.alpha.-D-allofuranose
SpectraBase Compound ID LvA8VFth9fW
InChI InChI=1S/C25H40O10/c1-22(2)26-11-14(29-22)15-12(16-20(28-15)34-24(5,6)30-16)9-10-13-17-18(32-23(3,4)31-17)19-21(27-13)35-25(7,8)33-19/h12-21H,9-11H2,1-8H3/t12-,13-,14-,15+,16-,17+,18+,19-,20-,21-/m1/s1
InChIKey HAUPKSQIODIDBH-PFIYKZSWSA-N
Mol Weight 500.6 g/mol
Molecular Formula C25H40O10
Exact Mass 500.262147 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8GqkzJ4wXKN
Name 3-Deoxy-3-C-[(6-deoxy-1,2:3,4-di-O-isopropylidene-.alpha.-D-galactopyranos-6-yl)methyl]-1,2:5,6-di-O-isopropylidene-.alpha.-D-allofuranose
Alternate Name(s) (1S,2R,6R,8R,9S)-8-{2-[(3aR,5S,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-tetrahydro-2H-furo[2,3-d][1,3]dioxol-6-yl]ethyl}-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.0(2,6)]dodecane
CAS Registry Number 79101-57-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H40O10
InChI InChI=1S/C25H40O10/c1-22(2)26-11-14(29-22)15-12(16-20(28-15)34-24(5,6)30-16)9-10-13-17-18(32-23(3,4)31-17)19-21(27-13)35-25(7,8)33-19/h12-21H,9-11H2,1-8H3/t12-,13-,14-,15+,16-,17+,18+,19-,20-,21-/m1/s1
InChIKey HAUPKSQIODIDBH-PFIYKZSWSA-N
Molecular Weight 500.585 g/mol
SMILES [C@]12([C@@]3([C@@](OC(O3)(C)C)([C@](O[C@@]1(OC(O2)(C)C)[H])(CC[C@]1([C@@]2([C@@](OC(O2)(C)C)(O[C@@]1([C@@]1(OC(C)(C)OC1)[H])[H])[H])[H])[H])[H])[H])[H])[H]
SPLASH splash10-0019-0085900000-d33eb45edb1931f47e56
Source of Spectrum J-46-5208-2
Wiley ID 1398830