![NITROTRIS-[2-[(2',3',4'-TRI-O-BENZOYL-6'-DEOXY-1'-O-METHYL-ALPHA-D-MANNOPYRANOS-6'-YL)-CARBAMOYL]-ETHYL]-METHANE](/api/spectrum/2ue0oyKDyW4/structure.png?h=300&w=458 "NITROTRIS-[2-[(2',3',4'-TRI-O-BENZOYL-6'-DEOXY-1'-O-METHYL-ALPHA-D-MANNOPYRANOS-6'-YL)-CARBAMOYL]-ETHYL]-METHANE")
| SpectraBase Compound ID | 3w6q2UcQYDX |
|---|---|
| InChI | InChI=1S/C94H90N4O29/c1-113-91-79(125-88(108)64-43-25-10-26-44-64)76(122-85(105)61-37-19-7-20-38-61)73(119-82(102)58-31-13-4-14-32-58)67(116-91)55-95-70(99)49-52-94(98(111)112,53-50-71(100)96-56-68-74(120-83(103)59-33-15-5-16-34-59)77(123-86(106)62-39-21-8-22-40-62)80(92(114-2)117-68)126-89(109)65-45-27-11-28-46-65)54-51-72(101)97-57-69-75(121-84(104)60-35-17-6-18-36-60)78(124-87(107)63-41-23-9-24-42-63)81(93(115-3)118-69)127-90(110)66-47-29-12-30-48-66/h4-48,67-69,73-81,91-93H,49-57H2,1-3H3,(H,95,99)(H,96,100)(H,97,101)/t67-,68-,69-,73-,74-,75-,76+,77+,78+,79+,80+,81+,91+,92+,93+/m0/s1 |
| InChIKey | LDJHFEFHCPZZGG-QYTWMCDOSA-N |
| Mol Weight | 1739.8 g/mol |
| Molecular Formula | C94H90N4O29 |
| Exact Mass | 1738.569073 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 2ue0oyKDyW4 |
|---|---|
| Name | NITROTRIS-[2-[(2',3',4'-TRI-O-BENZOYL-6'-DEOXY-1'-O-METHYL-ALPHA-D-MANNOPYRANOS-6'-YL)-CARBAMOYL]-ETHYL]-METHANE |
| Compound Number | 18 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C94H90N4O29 |
| InChI | InChI=1S/C94H90N4O29/c1-113-91-79(125-88(108)64-43-25-10-26-44-64)76(122-85(105)61-37-19-7-20-38-61)73(119-82(102)58-31-13-4-14-32-58)67(116-91)55-95-70(99)49-52-94(98(111)112,53-50-71(100)96-56-68-74(120-83(103)59-33-15-5-16-34-59)77(123-86(106)62-39-21-8-22-40-62)80(92(114-2)117-68)126-89(109)65-45-27-11-28-46-65)54-51-72(101)97-57-69-75(121-84(104)60-35-17-6-18-36-60)78(124-87(107)63-41-23-9-24-42-63)81(93(115-3)118-69)127-90(110)66-47-29-12-30-48-66/h4-48,67-69,73-81,91-93H,49-57H2,1-3H3,(H,95,99)(H,96,100)(H,97,101)/t67-,68-,69-,73-,74-,75-,76+,77+,78+,79+,80+,81+,91+,92+,93+/m0/s1 |
| InChIKey | LDJHFEFHCPZZGG-QYTWMCDOSA-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 | 1739.758 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWPA516 |