| SpectraBase Compound ID | K5lzcicWkdk |
|---|---|
| InChI | InChI=1S/C42H63N21O28/c43-57-50-1-8-29-15(64)22(71)36(78-8)86-30-9(2-51-58-44)80-38(24(73)17(30)66)88-32-11(4-53-60-46)82-40(26(75)19(32)68)90-34-13(6-55-62-48)84-42(28(77)21(34)70)91-35-14(7-56-63-49)83-41(27(76)20(35)69)89-33-12(5-54-61-47)81-39(25(74)18(33)67)87-31-10(3-52-59-45)79-37(85-29)23(72)16(31)65/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 | OLPQEMQLAVINTB-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 | J8quQkPH3JJ |
|---|---|
| Name | HEPTAKIS-(6-AZIDO-6-DEOXY)-BETA-CYCLOALTRIN |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H63N21O28 |
| InChI | InChI=1S/C42H63N21O28/c43-57-50-1-8-29-15(64)22(71)36(78-8)86-30-9(2-51-58-44)80-38(24(73)17(30)66)88-32-11(4-53-60-46)82-40(26(75)19(32)68)90-34-13(6-55-62-48)84-42(28(77)21(34)70)91-35-14(7-56-63-49)83-41(27(76)20(35)69)89-33-12(5-54-61-47)81-39(25(74)18(33)67)87-31-10(3-52-59-45)79-37(85-29)23(72)16(31)65/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 | OLPQEMQLAVINTB-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 | UWVN23017 |