| SpectraBase Compound ID | BeReRGsRZLh |
|---|---|
| InChI | InChI=1S/C40H72N2O13/c1-15-17-50-39(10)19-21(3)30(41-48)23(5)33(44)40(11,47)28(16-2)53-36(46)25(7)32(54-29-20-38(9,49-14)34(45)26(8)52-29)24(6)35(39)55-37-31(43)27(42(12)13)18-22(4)51-37/h15,21-29,31-35,37,43-45,47-48H,1,16-20H2,2-14H3/b41-30+ |
| InChIKey | JLBWXCAVBMJOCW-AETRBLLXSA-N |
| Mol Weight | 789.0 g/mol |
| Molecular Formula | C40H72N2O13 |
| Exact Mass | 788.50344 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7UnLMFgi5qC |
|---|---|
| Name | 6-O-ALLYL3-O-DESCLADINOSYL_9-(E)-OXIME |
| Compound Number | 20 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H71N2O13 |
| InChI | InChI=1S/C40H72N2O13/c1-15-17-50-39(10)19-21(3)30(41-48)23(5)33(44)40(11,47)28(16-2)53-36(46)25(7)32(54-29-20-38(9,49-14)34(45)26(8)52-29)24(6)35(39)55-37-31(43)27(42(12)13)18-22(4)51-37/h15,21-29,31-35,37,43-45,47-48H,1,16-20H2,2-14H3/b41-30+ |
| InChIKey | JLBWXCAVBMJOCW-AETRBLLXSA-N |
| Literature Reference Author | D.PAVLOVIC,S.MUTAK |
| Literature Reference Citation | J.MED.CHEM.,53,5868(2010) |
| Literature Reference DOI | 10.1021/jm100711p |
| Molecular Weight | 788.009 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ47430 |