| SpectraBase Compound ID | 5uRDyh1Ps0j |
|---|---|
| InChI | InChI=1S/C29H50O12/c1-7-8-9-10-11-12-13-14-15-16-35-29-27(22(33)24(17(2)37-29)38-19(4)30)41-28-23(34)26(40-21(6)32)25(18(3)36-28)39-20(5)31/h17-18,22-29,33-34H,7-16H2,1-6H3/t17-,18+,22+,23-,24+,25+,26+,27-,28-,29-/m1/s1 |
| InChIKey | YIEKDISIDZGOBI-UEQPDHNHSA-N |
| Mol Weight | 590.7 g/mol |
| Molecular Formula | C29H50O12 |
| Exact Mass | 590.330227 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JE11ZaO9DlV |
|---|---|
| Name | Undecyl 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 | 590.330227038 u |
| Formula | C29H50O12 |
| InChI | InChI=1S/C29H50O12/c1-7-8-9-10-11-12-13-14-15-16-35-29-27(22(33)24(17(2)37-29)38-19(4)30)41-28-23(34)26(40-21(6)32)25(18(3)36-28)39-20(5)31/h17-18,22-29,33-34H,7-16H2,1-6H3/t17-,18+,22+,23-,24+,25+,26+,27-,28-,29-/m1/s1 |
| InChIKey | YIEKDISIDZGOBI-UEQPDHNHSA-N |
| Molecular Weight | 590.707 g/mol |
| SMILES | [C@@]1(OCCCCCCCCCCC)([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] |