| SpectraBase Compound ID | 1WFcTk2AIHb |
|---|---|
| InChI | InChI=1S/C42H63N21O28/c43-57-50-15-22(71)36-78-8(1-64)29(15)85-37-23(72)16(51-58-44)31(10(3-66)79-37)87-39-25(74)18(53-60-46)33(12(5-68)81-39)89-41-27(76)20(55-62-48)35(14(7-70)83-41)91-42-28(77)21(56-63-49)34(13(6-69)84-42)90-40-26(75)19(54-61-47)32(11(4-67)82-40)88-38-24(73)17(52-59-45)30(86-36)9(2-65)80-38/h8-42,64-77H,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 | APBMVUJPCKKGEJ-OOAKRHISSA-N |
| Mol Weight | 1310.1 g/mol |
| Molecular Formula | C42H63N21O28 |
| Exact Mass | 1309.41514 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2kWAiyI2nHC |
|---|---|
| Name | HEPTAKIS-(3-AZIDO-3-DEOXY)-BETA-CYCLOALTRIN |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H63N21O28 |
| InChI | InChI=1S/C42H63N21O28/c43-57-50-15-22(71)36-78-8(1-64)29(15)85-37-23(72)16(51-58-44)31(10(3-66)79-37)87-39-25(74)18(53-60-46)33(12(5-68)81-39)89-41-27(76)20(55-62-48)35(14(7-70)83-41)91-42-28(77)21(56-63-49)34(13(6-69)84-42)90-40-26(75)19(54-61-47)32(11(4-67)82-40)88-38-24(73)17(52-59-45)30(86-36)9(2-65)80-38/h8-42,64-77H,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 | APBMVUJPCKKGEJ-OOAKRHISSA-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 | 1310.086 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWVN23015 |