![TRIS-[2-[(6'-DEOXY-1'-O-METHYL-ALPHA-D-MANNOPYRANOS-6'-YL)-CARBAMOYL]-ETHYL]-NITROMETHANE](/api/spectrum/BKBFcchGlFM/structure.png?h=300&w=458 "TRIS-[2-[(6'-DEOXY-1'-O-METHYL-ALPHA-D-MANNOPYRANOS-6'-YL)-CARBAMOYL]-ETHYL]-NITROMETHANE")
| SpectraBase Compound ID | eSJN8hW8G4 |
|---|---|
| InChI | InChI=1S/C31H54N4O20/c1-50-28-25(45)22(42)19(39)13(53-28)10-32-16(36)4-7-31(35(48)49,8-5-17(37)33-11-14-20(40)23(43)26(46)29(51-2)54-14)9-6-18(38)34-12-15-21(41)24(44)27(47)30(52-3)55-15/h13-15,19-30,39-47H,4-12H2,1-3H3,(H,32,36)(H,33,37)(H,34,38)/t13-,14-,15-,19-,20-,21-,22+,23+,24+,25+,26+,27+,28+,29+,30+/m1/s1 |
| InChIKey | LELGBZXCEYHZNN-MZIKOMLXSA-N |
| Mol Weight | 802.8 g/mol |
| Molecular Formula | C31H54N4O20 |
| Exact Mass | 802.33314 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BKBFcchGlFM |
|---|---|
| Name | TRIS-[2-[(6'-DEOXY-1'-O-METHYL-ALPHA-D-MANNOPYRANOS-6'-YL)-CARBAMOYL]-ETHYL]-NITROMETHANE |
| Compound Number | 19 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H54N4O20 |
| InChI | InChI=1S/C31H54N4O20/c1-50-28-25(45)22(42)19(39)13(53-28)10-32-16(36)4-7-31(35(48)49,8-5-17(37)33-11-14-20(40)23(43)26(46)29(51-2)54-14)9-6-18(38)34-12-15-21(41)24(44)27(47)30(52-3)55-15/h13-15,19-30,39-47H,4-12H2,1-3H3,(H,32,36)(H,33,37)(H,34,38)/t13-,14-,15-,19-,20-,21-,22+,23+,24+,25+,26+,27+,28+,29+,30+/m1/s1 |
| InChIKey | LELGBZXCEYHZNN-MZIKOMLXSA-N |
| Literature Reference Author | S.KOETTER,U.KRALLMANN-WENZEL,S.EHLERS,T.K.LINDHORST |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,2193(1998) |
| Literature Reference DOI | 10.1039/a801985a |
| Molecular Weight | 802.785 g/mol |
| Solvent | D2O |
| Source File Reference | UWPA517 |