| SpectraBase Compound ID | 18UxOrBatAY |
|---|---|
| InChI | InChI=1S/C31H54O12/c1-7-8-9-10-11-12-13-14-15-16-17-18-37-31-29(24(35)26(19(2)39-31)40-21(4)32)43-30-25(36)28(42-23(6)34)27(20(3)38-30)41-22(5)33/h19-20,24-31,35-36H,7-18H2,1-6H3/t19-,20+,24+,25-,26+,27+,28+,29-,30-,31-/m1/s1 |
| InChIKey | DQIUVZDBJDWELT-ALMFEPLMSA-N |
| Mol Weight | 618.8 g/mol |
| Molecular Formula | C31H54O12 |
| Exact Mass | 618.361527 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8wJqWWzZR57 |
|---|---|
| Name | Tridecyl 4-o-acetyl-6-deoxy-2-o-(3,4-di-o-acetyl-6-deoxy-.alpha.-L-mannopyranosyl)-.beta.-D-galactopyranoside |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 618.361527167 u |
| Formula | C31H54O12 |
| InChI | InChI=1S/C31H54O12/c1-7-8-9-10-11-12-13-14-15-16-17-18-37-31-29(24(35)26(19(2)39-31)40-21(4)32)43-30-25(36)28(42-23(6)34)27(20(3)38-30)41-22(5)33/h19-20,24-31,35-36H,7-18H2,1-6H3/t19-,20+,24+,25-,26+,27+,28+,29-,30-,31-/m1/s1 |
| InChIKey | DQIUVZDBJDWELT-ALMFEPLMSA-N |
| Molecular Weight | 618.761 g/mol |
| SMILES | [C@@]1(OCCCCCCCCCCCCC)([C@](O[C@@]2([C@](O)([C@](OC(=O)C)([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] |