| SpectraBase Compound ID | 5UvPsjXGlHP |
|---|---|
| InChI | InChI=1S/C28H46N2O/c1-18(2)16-26(31)29-21-12-14-27(4)20(17-21)8-9-22-24-11-10-23(19(3)30(6)7)28(24,5)15-13-25(22)27/h10,16,19-22,24-25H,8-9,11-15,17H2,1-7H3,(H,29,31)/t19-,20?,21-,22-,24-,25-,27-,28+/m0/s1 |
| InChIKey | PLDBTHJUMAWGCK-BMJGUZIZSA-N |
| Mol Weight | 426.7 g/mol |
| Molecular Formula | C28H46N2O |
| Exact Mass | 426.361014 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IrWM2nwBI9l |
|---|---|
| Name | SALIGNARINE-D;(20S)-20-(DIMETHYLAMINO)-3-BETA-(SENECIOYLAMINO)-5-ALPHA-PREGN-16-ENE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H46N2O |
| InChI | InChI=1S/C28H46N2O/c1-18(2)16-26(31)29-21-12-14-27(4)20(17-21)8-9-22-24-11-10-23(19(3)30(6)7)28(24,5)15-13-25(22)27/h10,16,19-22,24-25H,8-9,11-15,17H2,1-7H3,(H,29,31)/t19-,20?,21-,22-,24-,25-,27-,28+/m0/s1 |
| InChIKey | PLDBTHJUMAWGCK-BMJGUZIZSA-N |
| Literature Reference Author | A.U.RAHMAN,M.I.CHOUDHARY,M.R.KHAN,S.ANJUM,A.FAROOQ,M.Z.IQBAL |
| Literature Reference Citation | J.NAT.PROD.,63,1364(2000) |
| Literature Reference DOI | 10.1021/np990108w |
| Molecular Weight | 426.686 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWRU2179 |