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 |
SpectraBase Spectrum ID | 26aG6c8stII |
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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] |