| SpectraBase Compound ID | KkSUlllYw6m |
|---|---|
| InChI | InChI=1S/C30H42O19/c1-12(2)28(38)48-25-23(42-16(6)34)21(11-40-14(4)32)47-30(27(25)45-19(9)37)49-29-26(44-18(8)36)24(43-17(7)35)22(41-15(5)33)20(46-29)10-39-13(3)31/h12,20-27,29-30H,10-11H2,1-9H3/t20-,21-,22-,23-,24+,25+,26-,27-,29-,30-/m1/s1 |
| InChIKey | CMBCJNKFCYHGFB-FYBHVKCMSA-N |
| Mol Weight | 706.6 g/mol |
| Molecular Formula | C30H42O19 |
| Exact Mass | 706.232029 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BXPrMLVEzae |
|---|---|
| Name | .alpha.-D-Glucopyranose, 1-o-(3-o-(2-methylpropanoyl)-.alpha.-D-glucopyranosyl), heptaacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 706.232029113 u |
| Formula | C30H42O19 |
| InChI | InChI=1S/C30H42O19/c1-12(2)28(38)48-25-23(42-16(6)34)21(11-40-14(4)32)47-30(27(25)45-19(9)37)49-29-26(44-18(8)36)24(43-17(7)35)22(41-15(5)33)20(46-29)10-39-13(3)31/h12,20-27,29-30H,10-11H2,1-9H3/t20-,21-,22-,23-,24+,25+,26-,27-,29-,30-/m1/s1 |
| InChIKey | CMBCJNKFCYHGFB-FYBHVKCMSA-N |
| Molecular Weight | 706.647 g/mol |
| SMILES | C(OC(=O)C)[C@@]1([C@@](OC(=O)C)([C@@]([C@@](OC(=O)C)([C@](O1)(O[C@@]1([C@@]([C@]([C@](OC(=O)C)([C@@](COC(=O)C)(O1)[H])[H])(OC(=O)C)[H])(OC(=O)C)[H])[H])[H])[H])(OC(C(C)C)=O)[H])[H])[H] |