| SpectraBase Compound ID | FiGPSWlQNWu |
|---|---|
| InChI | InChI=1S/2C45H49NO14/c2*1-28(47)46-35-37(54-25-31-18-10-5-11-19-31)36(53-24-30-16-8-4-9-17-30)34(27-56-42(49)33-22-14-7-15-23-33)58-45(35)60-39-38(55-26-32-20-12-6-13-21-32)40(57-29(2)48)44(51)59-41(39)43(50)52-3/h2*4-23,34-41,44-45,51H,24-27H2,1-3H3,(H,46,47)/t34-,35-,36-,37-,38+,39+,40-,41-,44+,45-;34-,35-,36-,37-,38+,39+,40-,41-,44-,45-/m11/s1 |
| InChIKey | IHROVBYRNVSMDC-XNXPYQQVSA-N |
| Mol Weight | 1655.8 g/mol |
| Molecular Formula | C90H98N2O28 |
| Exact Mass | 1654.63061 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9YMWhuYH5dw |
|---|---|
| Name | METHYL-4-O-(2-ACETAMIDO-6-O-BENZOYL-3,4-DI-O-BENZYL-2-DEOXY-ALPHA-D-GLUCOPYRANOSYL)-2-O-ACETYL-3-O-BENZYL-ALPHA,BETA-L-IDOPYRANURONATE |
| Compound Number | 33 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C90H98N2O28 |
| InChI | InChI=1S/2C45H49NO14/c2*1-28(47)46-35-37(54-25-31-18-10-5-11-19-31)36(53-24-30-16-8-4-9-17-30)34(27-56-42(49)33-22-14-7-15-23-33)58-45(35)60-39-38(55-26-32-20-12-6-13-21-32)40(57-29(2)48)44(51)59-41(39)43(50)52-3/h2*4-23,34-41,44-45,51H,24-27H2,1-3H3,(H,46,47)/t34-,35-,36-,37-,38+,39+,40-,41-,44+,45-;34-,35-,36-,37-,38+,39+,40-,41-,44-,45-/m11/s1 |
| InChIKey | IHROVBYRNVSMDC-XNXPYQQVSA-N |
| Literature Reference Author | R.OJEDA,J.ANGULO,P.M.NIETO,M.MARTIN-LOMAS |
| Literature Reference Citation | CAN.J.CHEM.,80,917(2002) |
| Literature Reference DOI | 10.1139/v02-023 |
| Molecular Weight | 1655.765 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU29965 |