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.alpha.-D-Glucopyranoside, 6-o-[tiglyl]-.alpha.-D-glucopyranosyl, 6-tiglate, 6ac derivative
SpectraBase Compound ID LecOl1O7xms
InChI InChI=1S/C34H46O19/c1-11-15(3)31(41)43-13-23-25(45-17(5)35)27(47-19(7)37)29(49-21(9)39)33(51-23)53-34-30(50-22(10)40)28(48-20(8)38)26(46-18(6)36)24(52-34)14-44-32(42)16(4)12-2/h11-12,23-30,33-34H,13-14H2,1-10H3/b15-11+,16-12+/t23-,24-,25-,26-,27+,28+,29-,30-,33-,34-/m1/s1
InChIKey YQUYXHVRXOWJRJ-GTUCCIIPSA-N
Mol Weight 758.7 g/mol
Molecular Formula C34H46O19
Exact Mass 758.263329 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 26aG6c8stII
Name .alpha.-D-Glucopyranoside, 6-o-[tiglyl]-.alpha.-D-glucopyranosyl, 6-tiglate, 6ac derivative
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 758.263329242 u
Formula C34H46O19
InChI InChI=1S/C34H46O19/c1-11-15(3)31(41)43-13-23-25(45-17(5)35)27(47-19(7)37)29(49-21(9)39)33(51-23)53-34-30(50-22(10)40)28(48-20(8)38)26(46-18(6)36)24(52-34)14-44-32(42)16(4)12-2/h11-12,23-30,33-34H,13-14H2,1-10H3/b15-11+,16-12+/t23-,24-,25-,26-,27+,28+,29-,30-,33-,34-/m1/s1
InChIKey YQUYXHVRXOWJRJ-GTUCCIIPSA-N
Molecular Weight 758.723 g/mol
SMILES [C@]1(O[C@@]2([C@](OC(=O)C)([C@@](OC(=O)C)([C@](OC(=O)C)([C@](O2)(COC(=O)\C(C)=C\C)[H])[H])[H])[H])[H])([C@](OC(=O)C)([C@@](OC(=O)C)([C@](OC(=O)C)([C@](O1)(COC(\C(C)=C\C)=O)[H])[H])[H])[H])[H]