| SpectraBase Compound ID | GYHnNmDJfzd |
|---|---|
| InChI | InChI=1S/C28H44N2O2/c1-8-17(2)26(32)29-24-14-16-28(5)22-13-15-27(4)20(18(3)30(6)7)11-12-21(27)19(22)9-10-23(28)25(24)31/h8,10,18-22,24H,9,11-16H2,1-7H3,(H,29,32)/b17-8-/t18-,19-,20+,21-,22-,24-,27+,28+/m0/s1 |
| InChIKey | HZOTXNIDOKRKQY-XNJYIFOESA-N |
| Mol Weight | 440.7 g/mol |
| Molecular Formula | C28H44N2O2 |
| Exact Mass | 440.340279 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JDqfqgxrSwZ |
|---|---|
| Name | (20-S,2'-Z)-20-(N,N-DIMETHYLAMINO)-3-BETA-(2-METHYL-2-(Z)-BUTENAMIDO)-PREGN-5-EN-4-ONE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H44N2O2 |
| InChI | InChI=1S/C28H44N2O2/c1-8-17(2)26(32)29-24-14-16-28(5)22-13-15-27(4)20(18(3)30(6)7)11-12-21(27)19(22)9-10-23(28)25(24)31/h8,10,18-22,24H,9,11-16H2,1-7H3,(H,29,32)/b17-8-/t18-,19-,20+,21-,22-,24-,27+,28+/m0/s1 |
| InChIKey | HZOTXNIDOKRKQY-XNJYIFOESA-N |
| Literature Reference Author | A.U.RAHMAN,S.ANJUM,A.FAROOQ,M.R.KHAN,M.I.CHOUDHARY |
| Literature Reference Citation | PHYTOCHEM.,46,771(1997) |
| Literature Reference DOI | 10.1016/s0031-9422(97)00347-6 |
| Molecular Weight | 440.670 g/mol |
| Sample ID | 44952 |
| Solvent | CDCl3 |