| SpectraBase Compound ID | K0yCK07TFaE |
|---|---|
| InChI | InChI=1S/C29H52O11/c1-6-7-8-9-10-11-12-13-14-15-16-17-35-29-27(24(34)26(19(3)37-29)39-21(5)31)40-28-23(33)22(32)25(18(2)36-28)38-20(4)30/h18-19,22-29,32-34H,6-17H2,1-5H3/t18-,19+,22-,23+,24-,25-,26-,27+,28-,29+/m0/s1 |
| InChIKey | JKHVHANJZMSINB-QSTROWSQSA-N |
| Mol Weight | 576.7 g/mol |
| Molecular Formula | C29H52O11 |
| Exact Mass | 576.350962 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 86HlTHkgasz |
|---|---|
| Name | Tridecyl 4-o-acetyl-2-o-(4-o-acetyl-6-deoxy-.alpha.-L-mannopyranosyl)-6-deoxy-.beta.-D-galactopyranoside |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 576.350962483 u |
| Formula | C29H52O11 |
| InChI | InChI=1S/C29H52O11/c1-6-7-8-9-10-11-12-13-14-15-16-17-35-29-27(24(34)26(19(3)37-29)39-21(5)31)40-28-23(33)22(32)25(18(2)36-28)38-20(4)30/h18-19,22-29,32-34H,6-17H2,1-5H3/t18-,19+,22-,23+,24-,25-,26-,27+,28-,29+/m0/s1 |
| InChIKey | JKHVHANJZMSINB-QSTROWSQSA-N |
| Molecular Weight | 576.724 g/mol |
| SMILES | [C@@]1(OCCCCCCCCCCCCC)([C@](O[C@]2([C@](O)([C@](O)([C@@](OC(=O)C)([C@@](O2)(C)[H])[H])[H])[H])[H])([C@@](O)([C@@](OC(=O)C)([C@](O1)(C)[H])[H])[H])[H])[H] |