| SpectraBase Compound ID | 4ESiB3Ok7f6 |
|---|---|
| InChI | InChI=1S/C43H49NO19/c1-20-27-15-16-44-17-28(27)37(51)56-18-39(7)29-30(57-22(3)46)34(60-25(6)49)42(19-55-21(2)45)35(61-36(50)26-13-11-10-12-14-26)31(58-23(4)47)33(62-38(52)40(20,8)53)41(9,54)43(42,63-39)32(29)59-24(5)48/h10-17,20,29-35,53-54H,18-19H2,1-9H3/t20?,29-,30-,31+,32-,33+,34-,35+,39+,40?,41+,42-,43+/m1/s1 |
| InChIKey | XTKWHABDRIDBLJ-SWFKUUAOSA-N |
| Mol Weight | 883.9 g/mol |
| Molecular Formula | C43H49NO19 |
| Exact Mass | 883.289878 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Lqil11UpmIK |
|---|---|
| Name | WILFORDININE-C;1-BETA-BENZOYL-2-BETA,5-ALPHA,7-BETA,8-BETA,11-PENTA-ACETOXY-3-ALPHA,15-[2'-HYDROXY-2',3'-DIMETHYL-3'-(3''-CARBOXY-4''-PYRIDYL)-PRO |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H49NO19 |
| InChI | InChI=1S/C43H49NO19/c1-20-27-15-16-44-17-28(27)37(51)56-18-39(7)29-30(57-22(3)46)34(60-25(6)49)42(19-55-21(2)45)35(61-36(50)26-13-11-10-12-14-26)31(58-23(4)47)33(62-38(52)40(20,8)53)41(9,54)43(42,63-39)32(29)59-24(5)48/h10-17,20,29-35,53-54H,18-19H2,1-9H3/t20?,29-,30-,31+,32-,33+,34-,35+,39+,40?,41+,42-,43+/m1/s1 |
| InChIKey | XTKWHABDRIDBLJ-SWFKUUAOSA-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 | 883.857 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWRU1822 |