| SpectraBase Compound ID | 55GySzAshg1 |
|---|---|
| InChI | InChI=1S/C25H45N3O16.ClH/c1-9(31)27-14-19(36)16(33)11(6-29)41-23(14)40-8-13-18(35)22(15(28-10(2)32)24(43-13)39-5-3-4-26)44-25-21(38)20(37)17(34)12(7-30)42-25;/h11-25,29-30,33-38H,3-8,26H2,1-2H3,(H,27,31)(H,28,32);1H/t11-,12+,13+,14-,15+,16-,17+,18-,19-,20-,21+,22+,23-,24-,25-;/m0./s1 |
| InChIKey | IADBHPJKXHRYOQ-SONGULAHSA-N |
| Mol Weight | 680.1 g/mol |
| Molecular Formula | C25H46ClN3O16 |
| Exact Mass | 679.25666 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C2QSDSEFVzK |
|---|---|
| Name | #4;3-AMINOPROPYL-BETA-D-GLUCOPYRANOSYL-(1->3)-2-ACETAMIDO-2-DEOXY-2-BETA-D-GLUCOPYRANOSYL-(1->6)-2-ACETAMIDO-2-DEOXY-2-ALPHA-D-GALACTOPYRANOSIDE-HYDROCHLORIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H46ClN3O16 |
| InChI | InChI=1S/C25H45N3O16.ClH/c1-9(31)27-14-19(36)16(33)11(6-29)41-23(14)40-8-13-18(35)22(15(28-10(2)32)24(43-13)39-5-3-4-26)44-25-21(38)20(37)17(34)12(7-30)42-25;/h11-25,29-30,33-38H,3-8,26H2,1-2H3,(H,27,31)(H,28,32);1H/t11-,12+,13+,14-,15+,16-,17+,18-,19-,20-,21+,22+,23-,24-,25-;/m0./s1 |
| InChIKey | IADBHPJKXHRYOQ-SONGULAHSA-N |
| Literature Reference Author | D.BENITO-ALIFONSO,R.A.JONES,A.T.TRAN,H.WOODWARD,N.SMITH,M.V. GALAN |
| Literature Reference Citation | BEIL.J.ORG.CHEM.,9,1867(2013) |
| Literature Reference DOI | 10.3762/bjoc.9.218 |
| Molecular Weight | 680.104 g/mol |
| Solvent | D2O |
| Source File Reference | UWLU77512 |