| SpectraBase Compound ID | DnH8Jvkquyg |
|---|---|
| InChI | InChI=1S/C20H36N2O15S/c1-33-18-14(31)10(27)8(25)5(35-18)2-21-20(38)22-17-13(30)12(29)16(7(4-24)34-17)37-19-15(32)11(28)9(26)6(3-23)36-19/h5-19,23-32H,2-4H2,1H3,(H2,21,22,38)/t5-,6+,7+,8-,9-,10+,11-,12+,13+,14-,15+,16+,17+,18+,19-/m0/s1 |
| InChIKey | XYQHQMCMBAQFMI-NXVGUTPXSA-N |
| Mol Weight | 576.6 g/mol |
| Molecular Formula | C20H36N2O15S |
| Exact Mass | 576.18364 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GB4cucSdhzJ |
|---|---|
| Name | METHYL-6-DEOXY-6-(BETA-D-LACTOSYLTHIOUREIDO)-ALPHA-D-GLUCOPYRANOSIDE |
| Compound Number | 12 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C20H36N2O15S |
| InChI | InChI=1S/C20H36N2O15S/c1-33-18-14(31)10(27)8(25)5(35-18)2-21-20(38)22-17-13(30)12(29)16(7(4-24)34-17)37-19-15(32)11(28)9(26)6(3-23)36-19/h5-19,23-32H,2-4H2,1H3,(H2,21,22,38)/t5-,6+,7+,8-,9-,10+,11-,12+,13+,14-,15+,16+,17+,18+,19-/m0/s1 |
| InChIKey | XYQHQMCMBAQFMI-NXVGUTPXSA-N |
| Literature Reference Author | J.M.BENITO,C.O.MELLET,K.SADALAPURE,T.K.LINDHORST,J.DEFAYE,J. M.G.FERNANDEZ |
| Literature Reference Citation | CARBOHYDR.RES.,320,37(1999) |
| Literature Reference DOI | 10.1016/S0008-6215(99)00141-X |
| Molecular Weight | 576.570 g/mol |
| Solvent | D2O |
| Source File Reference | UWRU5145 |