| SpectraBase Spectrum ID |
IEr6lQhHBNG |
| Name |
(1'S,2'S)-Ethyl 2,6-di-o-benzoyl-3,4-o-(1',2'-dimethoxycyclohexane-1',2'-diyl)-1-thio-.alpha.,D-mannopyranoside |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
572.208003904 u |
| Formula |
C30H36O9S |
| InChI |
InChI=1S/C30H36O9S/c1-4-40-28-25(37-27(32)21-15-9-6-10-16-21)24-23(22(36-28)19-35-26(31)20-13-7-5-8-14-20)38-29(33-2)17-11-12-18-30(29,34-3)39-24/h5-10,13-16,22-25,28H,4,11-12,17-19H2,1-3H3/t22-,23-,24+,25+,28-,29+,30+/m1/s1 |
| InChIKey |
KUJKXBJPIDCXAR-MNSNFRGTSA-N |
| Molecular Weight |
572.669 g/mol |
| SMILES |
[C@@]12([C@@]([C@@](SCC)(O[C@@]([C@]2(O[C@@]2([C@](O1)(OC)CCCC2)OC)[H])(COC(=O)C=1C=CC=CC1)[H])[H])(OC(=O)C1=CC=CC=C1)[H])[H] |
