| SpectraBase Compound ID | GoRu8ure7db |
|---|---|
| InChI | InChI=1S/C31H46O11/c1-35-24(32)17-11-6-4-5-7-14-20-38-29-25(33)27-26(23(40-29)21-39-28(34)22-15-9-8-10-16-22)41-30(36-2)18-12-13-19-31(30,37-3)42-27/h8-10,15-16,23,25-27,29,33H,4-7,11-14,17-21H2,1-3H3/t23-,25+,26-,27-,29-,30+,31+/m1/s1 |
| InChIKey | FWQOAMHMQSXXKI-HUCFRTTNSA-N |
| Mol Weight | 594.7 g/mol |
| Molecular Formula | C31H46O11 |
| Exact Mass | 594.304012 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | GIsUwTRdJbi |
|---|---|
| Name | (1'S,2'S)-8-(Methoxycarbonyl)octyl 6-o-benzoyl-3,4-o-(1',2'-dimethoxycyclohexane-1',2'-diyl)-.beta.,D-mannopyranoside |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 594.304012290 u |
| Formula | C31H46O11 |
| InChI | InChI=1S/C31H46O11/c1-35-24(32)17-11-6-4-5-7-14-20-38-29-25(33)27-26(23(40-29)21-39-28(34)22-15-9-8-10-16-22)41-30(36-2)18-12-13-19-31(30,37-3)42-27/h8-10,15-16,23,25-27,29,33H,4-7,11-14,17-21H2,1-3H3/t23-,25+,26-,27-,29-,30+,31+/m1/s1 |
| InChIKey | FWQOAMHMQSXXKI-HUCFRTTNSA-N |
| Molecular Weight | 594.698 g/mol |
| SMILES | [C@@]12([C@](O[C@@]3([C@](O2)(OC)CCCC3)OC)([C@@](COC(=O)C2=CC=CC=C2)(O[C@]([C@]1(O)[H])(OCCCCCCCCC(=O)OC)[H])[H])[H])[H] |