| SpectraBase Compound ID | 2mSLrImiDfT |
|---|---|
| InChI | InChI=1S/2C20H27N7O9/c2*1-8-3-26(12-2-9(31)10(4-28)35-12)20(34)25-17(8)24-13-16(21)22-6-23-18(13)27(7-30)19-15(33)14(32)11(5-29)36-19/h2*3,6-7,9-12,14-15,19,28-29,31-33H,2,4-5H2,1H3,(H2,21,22,23)(H,24,25,34) |
| InChIKey | QUQHLBWIMPNBKJ-UHFFFAOYSA-N |
| Mol Weight | 1018.95 g/mol |
| Molecular Formula | C40H54N14O18 |
| Exact Mass | 1018.374051 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2nTbWpumA05 |
|---|---|
| Name | MIXTURE_OF_ISOMERS |
| Compound Number | 3A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H54N14O18 |
| InChI | InChI=1S/2C20H27N7O9/c2*1-8-3-26(12-2-9(31)10(4-28)35-12)20(34)25-17(8)24-13-16(21)22-6-23-18(13)27(7-30)19-15(33)14(32)11(5-29)36-19/h2*3,6-7,9-12,14-15,19,28-29,31-33H,2,4-5H2,1H3,(H2,21,22,23)(H,24,25,34) |
| InChIKey | QUQHLBWIMPNBKJ-UHFFFAOYSA-N |
| Literature Reference Author | C.SAINTOME,P.CLIVIO,A.FAVRE,J.L.FOURREY |
| Literature Reference Citation | J.ORG.CHEM.,62,8125(1997) |
| Literature Reference DOI | 10.1021/jo971162p |
| Molecular Weight | 1018.952 g/mol |
| Solvent | D2O |