| SpectraBase Compound ID | G0qxtdOTgfa |
|---|---|
| InChI | InChI=1S/C40H42O19/c41-16-27-29(44)31(46)33(48)37(58-27)56-25-10-8-23(42)14-21(25)13-20-7-4-12-40(53,35(20)50)39(52)55-17-22-15-24(43)9-11-26(22)57-38-34(49)32(47)30(45)28(59-38)18-54-36(51)19-5-2-1-3-6-19/h1-6,8-15,27-34,37-38,41-49,53H,7,16-18H2/b20-13+/t27-,28+,29-,30+,31+,32-,33-,34+,37-,38+,40?/m0/s1 |
| InChIKey | VJDJBHKKFHYOAP-CFHKQFEBSA-N |
| Mol Weight | 826.8 g/mol |
| Molecular Formula | C40H42O19 |
| Exact Mass | 826.232029 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LhIplvIqPEM |
|---|---|
| Name | ITOSIDE_J |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H42O19 |
| InChI | InChI=1S/C40H42O19/c41-16-27-29(44)31(46)33(48)37(58-27)56-25-10-8-23(42)14-21(25)13-20-7-4-12-40(53,35(20)50)39(52)55-17-22-15-24(43)9-11-26(22)57-38-34(49)32(47)30(45)28(59-38)18-54-36(51)19-5-2-1-3-6-19/h1-6,8-15,27-34,37-38,41-49,53H,7,16-18H2/b20-13+/t27-,28+,29-,30+,31+,32-,33-,34+,37-,38+,40?/m0/s1 |
| InChIKey | VJDJBHKKFHYOAP-CFHKQFEBSA-N |
| Literature Reference Author | X.Y.CHAI,Y.L.SONG,Z.R.XU,H.M.SHI,C.C.BAI,D.BI,J.WEN,F.F.LI,P .F.TU |
| Literature Reference Citation | J.NAT.PROD.,71,814(2008) |
| Literature Reference DOI | 10.1021/np800014s |
| Molecular Weight | 826.762 g/mol |
| Sample ID | 28261 |
| Solvent | CD3OD |