| SpectraBase Compound ID | 1bUs4sbn6dm |
|---|---|
| InChI | InChI=1S/C28H46N2O2/c1-8-17(2)26(32)29-24-15-19-9-10-20-22-12-11-21(18(3)30(6)7)27(22,4)14-13-23(20)28(19,5)16-25(24)31/h8-9,18,20-25,31H,10-16H2,1-7H3,(H,29,32)/b17-8+/t18-,20-,21+,22-,23-,24+,25-,27+,28-/m0/s1 |
| InChIKey | VHUUFOJKTGMUTC-SYDZCELUSA-N |
| Mol Weight | 442.7 g/mol |
| Molecular Formula | C28H46N2O2 |
| Exact Mass | 442.355929 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | APPvMFXiwfk |
|---|---|
| Name | SALIGNARINE-B;(20S)-2-BETA-HYDROXY-20-(DIMETHYLAMINO)-3-BETA-(TIGLOYLAMINO)-PREGN-5-ENE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H46N2O2 |
| InChI | InChI=1S/C28H46N2O2/c1-8-17(2)26(32)29-24-15-19-9-10-20-22-12-11-21(18(3)30(6)7)27(22,4)14-13-23(20)28(19,5)16-25(24)31/h8-9,18,20-25,31H,10-16H2,1-7H3,(H,29,32)/b17-8+/t18-,20-,21+,22-,23-,24+,25-,27+,28-/m0/s1 |
| InChIKey | VHUUFOJKTGMUTC-SYDZCELUSA-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 | 442.685 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWRU2177 |