| SpectraBase Compound ID | 5sq11x84K8c |
|---|---|
| InChI | InChI=1S/C38H54N2O10/c1-8-20(3)32(42)39-25-13-11-10-12-22(25)33(43)49-19-35-15-14-27(47-6)37-24-16-23-26(46-5)17-36(44,28(24)29(23)50-21(4)41)38(45,31(48-7)30(35)37)34(37)40(9-2)18-35/h10-13,20,23-24,26-31,34,44-45H,8-9,14-19H2,1-7H3,(H,39,42)/t20?,23?,24?,26-,27-,28?,29-,30+,31-,34?,35-,36+,37-,38?/m0/s1 |
| InChIKey | GKXTZNDKFRDAAR-KJUGUGJKSA-N |
| Mol Weight | 698.9 g/mol |
| Molecular Formula | C38H54N2O10 |
| Exact Mass | 698.377846 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ltcf3TS35TS |
|---|---|
| Name | DELAJADINE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H54N2O10 |
| InChI | InChI=1S/C38H54N2O10/c1-8-20(3)32(42)39-25-13-11-10-12-22(25)33(43)49-19-35-15-14-27(47-6)37-24-16-23-26(46-5)17-36(44,28(24)29(23)50-21(4)41)38(45,31(48-7)30(35)37)34(37)40(9-2)18-35/h10-13,20,23-24,26-31,34,44-45H,8-9,14-19H2,1-7H3,(H,39,42)/t20?,23?,24?,26-,27-,28?,29-,30+,31-,34?,35-,36+,37-,38?/m0/s1 |
| InChIKey | GKXTZNDKFRDAAR-KJUGUGJKSA-N |
| Literature Reference Author | J.LU,H.K.DESAI,S.A.ROSS,H.M.SAYED,S.W.PELLETIER |
| Literature Reference Citation | J.NAT.PROD.,56,2098(1993) |
| Literature Reference DOI | 10.1021/np50102a011 |
| Molecular Weight | 698.854 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS15610 |