| SpectraBase Compound ID | GBxWB90wSIR |
|---|---|
| InChI | InChI=1S/C25H34ClNO9S/c1-5-37-25-23(36-20(30)13-26)22(33-14-18-9-7-6-8-10-18)21(15(2)34-25)27-24(31)19(35-17(4)29)11-12-32-16(3)28/h6-10,15,19,21-23,25H,5,11-14H2,1-4H3,(H,27,31)/t15-,19-,21-,22+,23+,25+/m1/s1 |
| InChIKey | XYDJNKWBUJRBGR-DGRJDWKPSA-N |
| Mol Weight | 560.1 g/mol |
| Molecular Formula | C25H34ClNO9S |
| Exact Mass | 559.164281 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GQXzsuX0f5W |
|---|---|
| Name | ETHYL-3-O-BENZYL-2-O-CHLOROACETYL-4-(2,4-DI-O-ACETYL-3-DEOXY-L-GLYCERO-TETRONAMIDO)-4,6-DIDEOXY-1-THIO-BETA-D-MANNOPYRANOSIDE |
| Compound Number | 12 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H34ClNO9S |
| InChI | InChI=1S/C25H34ClNO9S/c1-5-37-25-23(36-20(30)13-26)22(33-14-18-9-7-6-8-10-18)21(15(2)34-25)27-24(31)19(35-17(4)29)11-12-32-16(3)28/h6-10,15,19,21-23,25H,5,11-14H2,1-4H3,(H,27,31)/t15-,19-,21-,22+,23+,25+/m1/s1 |
| InChIKey | XYDJNKWBUJRBGR-DGRJDWKPSA-N |
| Literature Reference Author | R.ADAMO,P.KOVAC |
| Literature Reference Citation | EUR.J.ORG.CHEM.,2803(2006) |
| Molecular Weight | 560.059 g/mol |
| Sample ID | 44067 |
| Solvent | CDCl3 |