| SpectraBase Compound ID | HNx1RIG0p05 |
|---|---|
| InChI | InChI=1S/C25H43N3O14S/c1-4-5-38-24-15(27-9(2)32)20(37)22(13(8-31)40-24)43-25-16(28-10(3)33)19(36)21(12(7-30)41-25)42-23-14(26)18(35)17(34)11(6-29)39-23/h4,11-25,29-31,34-37H,1,5-8,26H2,2-3H3,(H,27,32)(H,28,33)/t11-,12+,13+,14-,15+,16+,17-,18-,19+,20+,21+,22+,23+,24+,25-/m0/s1 |
| InChIKey | JWCPSIIPDGUMGV-MRDKPAEXSA-N |
| Mol Weight | 641.7 g/mol |
| Molecular Formula | C25H43N3O14S |
| Exact Mass | 641.246574 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ht7jVWjnBIR |
|---|---|
| Name | #21;ALLYL-4-S-(2-ACETAMIDO-4-O-(2-AMINO-2-DEOXY-BETA-D-GLUCOPYRANOSYL)-2-DEOXY-BETA-D-GLUCOPYRANOSYL)-2-ACETAMIDO-2-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H43N3O14S |
| InChI | InChI=1S/C25H43N3O14S/c1-4-5-38-24-15(27-9(2)32)20(37)22(13(8-31)40-24)43-25-16(28-10(3)33)19(36)21(12(7-30)41-25)42-23-14(26)18(35)17(34)11(6-29)39-23/h4,11-25,29-31,34-37H,1,5-8,26H2,2-3H3,(H,27,32)(H,28,33)/t11-,12+,13+,14-,15+,16+,17-,18-,19+,20+,21+,22+,23+,24+,25-/m0/s1 |
| InChIKey | JWCPSIIPDGUMGV-MRDKPAEXSA-N |
| Literature Reference Author | L.L.MORAIS,H.YUASA,K.BENNIS,I.RIPOCHE,F.I.AUZANNEAU |
| Literature Reference Citation | CAN.J.CHEM.,84,587(2006) |
| Literature Reference DOI | 10.1139/v06-043 |
| Molecular Weight | 641.688 g/mol |
| Sample ID | 46799 |
| Solvent | D2O |