| SpectraBase Compound ID | LA8ef14enhq |
|---|---|
| InChI | InChI=1S/C33H43ClN2O8/c1-20(32(39)40)19-35-31(38)25(18-22-15-16-27(41-5)24(34)17-22)36-28(37)14-10-13-26-21(2)29(44-33(3,4)43-26)30(42-6)23-11-8-7-9-12-23/h7-12,14-17,20-21,25-26,29-30H,13,18-19H2,1-6H3,(H,35,38)(H,36,37)(H,39,40)/b14-10+/t20-,21-,25+,26-,29+,30-/m1/s1 |
| InChIKey | KXMNTQJQMSKPJM-HSVKBENTSA-N |
| Mol Weight | 631.2 g/mol |
| Molecular Formula | C33H43ClN2O8 |
| Exact Mass | 630.270794 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4RVn8Sd8n2z |
|---|---|
| Name | KXMNTQJQMSKPJM-HSVKBENTSA-N |
| Compound Number | 11 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H43ClN2O8 |
| InChI | InChI=1S/C33H43ClN2O8/c1-20(32(39)40)19-35-31(38)25(18-22-15-16-27(41-5)24(34)17-22)36-28(37)14-10-13-26-21(2)29(44-33(3,4)43-26)30(42-6)23-11-8-7-9-12-23/h7-12,14-17,20-21,25-26,29-30H,13,18-19H2,1-6H3,(H,35,38)(H,36,37)(H,39,40)/b14-10+/t20-,21-,25+,26-,29+,30-/m1/s1 |
| InChIKey | KXMNTQJQMSKPJM-HSVKBENTSA-N |
| Literature Reference Author | G.TRIMURTULU,I.OHTANI,G.M.L.PATTERSON,R.E.MOORE,T.H.CORBETT, F.A.VALERIOTE,L.DEMC |
| Literature Reference Citation | J.AM.CHEM.SOC.,116,4729(1994) |
| Literature Reference DOI | 10.1021/ja00090a020 |
| Molecular Weight | 631.166 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWSI655 |