| SpectraBase Compound ID | CjkOS3bPn3F |
|---|---|
| InChI | InChI=1S/C36H45NO17/c1-15-16(2)31(44)53-28-25(43)29(51-20(6)41)35(14-47-17(3)38)30(52-21(7)42)26(49-18(4)39)24-27(50-19(5)40)36(35,34(28,9)46)54-33(24,8)13-48-32(45)23-12-37-11-10-22(15)23/h10-12,15-16,24-30,43,46H,13-14H2,1-9H3/t15?,16?,24-,25+,26-,27-,28+,29+,30-,33+,34+,35+,36+/m1/s1 |
| InChIKey | NZJBHDRNBSDTHF-FNSNBEEHSA-N |
| Mol Weight | 763.7 g/mol |
| Molecular Formula | C36H45NO17 |
| Exact Mass | 763.268749 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Be5RdBiYsjm |
|---|---|
| Name | WILFORDININE-A;1-BETA,5-ALPHA,7-BETA,8-BETA,11-PENTA-ACETOXY-2-BETA,4-ALPHA-HYDROXY-3-ALPHA,15-[2',3'-DIMETHYL-3'-(3''-CARBOXY-4''-PYRIDYL)-PROPAN |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H45NO17 |
| InChI | InChI=1S/C36H45NO17/c1-15-16(2)31(44)53-28-25(43)29(51-20(6)41)35(14-47-17(3)38)30(52-21(7)42)26(49-18(4)39)24-27(50-19(5)40)36(35,34(28,9)46)54-33(24,8)13-48-32(45)23-12-37-11-10-22(15)23/h10-12,15-16,24-30,43,46H,13-14H2,1-9H3/t15?,16?,24-,25+,26-,27-,28+,29+,30-,33+,34+,35+,36+/m1/s1 |
| InChIKey | NZJBHDRNBSDTHF-FNSNBEEHSA-N |
| Literature Reference Author | H.DUAN,Y.TAKAISHI,Y.IMAKURA,Y.JIA,D.LI,L.M.COSENTINO,K.H.LEE |
| Literature Reference Citation | J.NAT.PROD.,63,357(2000) |
| Literature Reference DOI | 10.1021/np990281s |
| Molecular Weight | 763.750 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWRU1820 |