| SpectraBase Compound ID | LEzwBBjApNk |
|---|---|
| InChI | InChI=1S/C23H35N5O13/c1-8(31)24-13-4-5-28(23(38)27-13)21-19(37)17(35)15(26-10(3)33)20(41-21)12(7-30)40-22-18(36)14(25-9(2)32)16(34)11(6-29)39-22/h4-5,11-12,14-22,29-30,34-37H,6-7H2,1-3H3,(H,25,32)(H,26,33)(H,24,27,31,38)/t11-,12?,14+,15-,16-,17-,18-,19+,20+,21+,22+/m0/s1 |
| InChIKey | CARZBDXDNQNVAD-VDGXCZOFSA-N |
| Mol Weight | 589.6 g/mol |
| Molecular Formula | C23H35N5O13 |
| Exact Mass | 589.223136 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 85LHR97Td8P |
|---|---|
| Name | CARZBDXDNQNVAD-VDGXCZOFSA-N |
| CAS Registry Number | 63018-04-2 |
| Compound Number | 10A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C23H35N5O13 |
| InChI | InChI=1S/C23H35N5O13/c1-8(31)24-13-4-5-28(23(38)27-13)21-19(37)17(35)15(26-10(3)33)20(41-21)12(7-30)40-22-18(36)14(25-9(2)32)16(34)11(6-29)39-22/h4-5,11-12,14-22,29-30,34-37H,6-7H2,1-3H3,(H,25,32)(H,26,33)(H,24,27,31,38)/t11-,12?,14+,15-,16-,17-,18-,19+,20+,21+,22+/m0/s1 |
| InChIKey | CARZBDXDNQNVAD-VDGXCZOFSA-N |
| Literature Reference Author | M.VUILHORGNE,S.ENNIFAR,B.C.DAS,J.W.PASCHAL,R.NAGARAJAN,E.W.H AGAMAN,E.WENKERT |
| Literature Reference Citation | J.ORG.CHEM.,42,3289(1977) |
| Literature Reference DOI | 10.1021/jo00440a019 |
| Molecular Weight | 589.557 g/mol |
| Solvent | D2O |
| Source File Reference | UWCS13025 |