| SpectraBase Compound ID | IKcnbFjnZv0 |
|---|---|
| InChI | InChI=1S/C42H49N21O21/c43-57-50-1-8-15-22-29(71-22)36(64-8)79-16-9(2-51-58-44)66-38(31-23(16)73-31)81-18-11(4-53-60-46)68-40(33-25(18)75-33)83-20-13(6-55-62-48)70-42(35-27(20)77-35)84-21-14(7-56-63-49)69-41(34-28(21)76-34)82-19-12(5-54-61-47)67-39(32-26(19)74-32)80-17-10(3-52-59-45)65-37(78-15)30-24(17)72-30/h8-42H,1-7H2/t8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22+,23+,24+,25+,26+,27+,28+,29+,30+,31+,32+,33+,34+,35+,36-,37-,38-,39-,40-,41-,42-/m0/s1 |
| InChIKey | KRXZWHQTDFKRDL-CKDGZVLWSA-N |
| Mol Weight | 1184.0 g/mol |
| Molecular Formula | C42H49N21O21 |
| Exact Mass | 1183.341188 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AY4jqpIylp8 |
|---|---|
| Name | HEPTAKIS-(2,3-ANHYDRO-6-AZIDO-6-DEOXY)-BETA-CYCLOMANNIN |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H49N21O21 |
| InChI | InChI=1S/C42H49N21O21/c43-57-50-1-8-15-22-29(71-22)36(64-8)79-16-9(2-51-58-44)66-38(31-23(16)73-31)81-18-11(4-53-60-46)68-40(33-25(18)75-33)83-20-13(6-55-62-48)70-42(35-27(20)77-35)84-21-14(7-56-63-49)69-41(34-28(21)76-34)82-19-12(5-54-61-47)67-39(32-26(19)74-32)80-17-10(3-52-59-45)65-37(78-15)30-24(17)72-30/h8-42H,1-7H2/t8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22+,23+,24+,25+,26+,27+,28+,29+,30+,31+,32+,33+,34+,35+,36-,37-,38-,39-,40-,41-,42-/m0/s1 |
| InChIKey | KRXZWHQTDFKRDL-CKDGZVLWSA-N |
| Literature Reference Author | J.M.CASAS-SOLVAS,F.ORTEGA-CABALLERO,J.J.GIMENEZ-MARTINEZ,A.V ARGAS-BERENGUEL |
| Literature Reference Citation | J.ORG.CHEM.,69,8942(2004) |
| Literature Reference DOI | 10.1021/jo0488457 |
| Molecular Weight | 1183.979 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN23016 |