| SpectraBase Compound ID | C30a4NgMHW7 |
|---|---|
| InChI | InChI=1S/C42H56N42O21/c43-71-57-1-8-29-15(64-78-50)22(85)36(92-8)100-30-9(2-58-72-44)94-38(24(87)17(30)66-80-52)102-32-11(4-60-74-46)96-40(26(89)19(32)68-82-54)104-34-13(6-62-76-48)98-42(28(91)21(34)70-84-56)105-35-14(7-63-77-49)97-41(27(90)20(35)69-83-55)103-33-12(5-61-75-47)95-39(25(88)18(33)67-81-53)101-31-10(3-59-73-45)93-37(99-29)23(86)16(31)65-79-51/h8-42,85-91H,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 | QZQKBPSFJBFWCT-OOAKRHISSA-N |
| Mol Weight | 1485.2 g/mol |
| Molecular Formula | C42H56N42O21 |
| Exact Mass | 1484.460517 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1mqGK0CbViO |
|---|---|
| Name | HEPTAKIS-(3,6-DIAZIDO-3,6-DIDEOXY)-BETA-CYCLOALTRIN |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H56N42O21 |
| InChI | InChI=1S/C42H56N42O21/c43-71-57-1-8-29-15(64-78-50)22(85)36(92-8)100-30-9(2-58-72-44)94-38(24(87)17(30)66-80-52)102-32-11(4-60-74-46)96-40(26(89)19(32)68-82-54)104-34-13(6-62-76-48)98-42(28(91)21(34)70-84-56)105-35-14(7-63-77-49)97-41(27(90)20(35)69-83-55)103-33-12(5-61-75-47)95-39(25(88)18(33)67-81-53)101-31-10(3-59-73-45)93-37(99-29)23(86)16(31)65-79-51/h8-42,85-91H,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 | QZQKBPSFJBFWCT-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 | 1485.175 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWVN23018 |