| SpectraBase Compound ID | 2QHjhkB6kzG |
|---|---|
| InChI | InChI=1S/C30H48N2O5/c1-9-16(2)27(35)31-25-23(34)15-29(6)22-12-13-28(5)20(17(3)32(7)8)10-11-21(28)19(22)14-24-30(29,37-24)26(25)36-18(4)33/h9,17,19-26,34H,10-15H2,1-8H3,(H,31,35)/b16-9+/t17-,19-,20+,21-,22-,23-,24?,25-,26-,28+,29+,30?/m0/s1 |
| InChIKey | RRIHUBBCYOKLFC-CBJNHZGLSA-N |
| Mol Weight | 516.7 g/mol |
| Molecular Formula | C30H48N2O5 |
| Exact Mass | 516.356323 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BdahXY8WDKV |
|---|---|
| Name | SALIGNARINE-A;(20S)-2-BETA-HYDROXY-4-BETA-ACETOXY-5-ALPHA,6-ALPHA-EPOXY-20-(DIMETHYLAMINO)-3-BETA-(TIGLOYLAMINO)-PREGNANE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H48N2O5 |
| InChI | InChI=1S/C30H48N2O5/c1-9-16(2)27(35)31-25-23(34)15-29(6)22-12-13-28(5)20(17(3)32(7)8)10-11-21(28)19(22)14-24-30(29,37-24)26(25)36-18(4)33/h9,17,19-26,34H,10-15H2,1-8H3,(H,31,35)/b16-9+/t17-,19-,20+,21-,22-,23-,24?,25-,26-,28+,29+,30?/m0/s1 |
| InChIKey | RRIHUBBCYOKLFC-CBJNHZGLSA-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 | 516.722 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWRU2176 |