![#34;O-[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]-TRICHLOROACETIMI](/api/spectrum/Chd2QDm7wM3/structure.png?h=300&w=458 "#34;O-[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]-TRICHLOROACETIMI")
| SpectraBase Compound ID | 3RMYCIsCv8l |
|---|---|
| InChI | InChI=1S/2C47H49Cl3N2O14/c2*1-28(53)52-35-37(59-25-31-18-10-5-11-19-31)36(58-24-30-16-8-4-9-17-30)34(27-61-42(55)33-22-14-7-15-23-33)63-44(35)64-39-38(60-26-32-20-12-6-13-21-32)41(62-29(2)54)45(65-40(39)43(56)57-3)66-46(51)47(48,49)50/h2*4-23,34-41,44-45,51H,24-27H2,1-3H3,(H,52,53)/t34-,35-,36-,37-,38+,39+,40-,41-,44-,45+;34-,35-,36-,37-,38+,39+,40-,41-,44-,45-/m11/s1 |
| InChIKey | KLGFUJPGQIKFQW-WRAVNXFOSA-N |
| Mol Weight | 1944.5 g/mol |
| Molecular Formula | C94H98Cl6N4O28 |
| Exact Mass | 1940.449875 g/mol |
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| SpectraBase Spectrum ID | Chd2QDm7wM3 |
|---|---|
| Name | #34;O-[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]-TRICHLOROACETIMI |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C94H98Cl6N4O28 |
| InChI | InChI=1S/2C47H49Cl3N2O14/c2*1-28(53)52-35-37(59-25-31-18-10-5-11-19-31)36(58-24-30-16-8-4-9-17-30)34(27-61-42(55)33-22-14-7-15-23-33)63-44(35)64-39-38(60-26-32-20-12-6-13-21-32)41(62-29(2)54)45(65-40(39)43(56)57-3)66-46(51)47(48,49)50/h2*4-23,34-41,44-45,51H,24-27H2,1-3H3,(H,52,53)/t34-,35-,36-,37-,38+,39+,40-,41-,44-,45+;34-,35-,36-,37-,38+,39+,40-,41-,44-,45-/m11/s1 |
| InChIKey | KLGFUJPGQIKFQW-WRAVNXFOSA-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 | 1944.540 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU29966 |