| SpectraBase Compound ID | HrwiM2FEXa |
|---|---|
| InChI | InChI=1S/C41H50O16/c1-10-21(3)31(47)53-32-35(7)19-39-37(20-50-29(46)16-25(35)37)38-14-13-34(6,30(51-22(4)42)24-12-15-49-18-24)26(17-28(45)48-9)40(38,57-36(8,55-38)56-39)33(52-27(44)11-2)41(32,39)54-23(5)43/h10,12,15,18,25-26,30,32-33H,11,13-14,16-17,19-20H2,1-9H3/b21-10+/t25-,26+,30-,32-,33-,34+,35-,36+,37-,38-,39+,40+,41-/m0/s1 |
| InChIKey | QEKCNVYECXGGRN-ZZLTUFJJSA-N |
| Mol Weight | 798.8 g/mol |
| Molecular Formula | C41H50O16 |
| Exact Mass | 798.309886 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L3JXtwmDl0j |
|---|---|
| Name | SWIETENITIN_E |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H50O16 |
| InChI | InChI=1S/C41H50O16/c1-10-21(3)31(47)53-32-35(7)19-39-37(20-50-29(46)16-25(35)37)38-14-13-34(6,30(51-22(4)42)24-12-15-49-18-24)26(17-28(45)48-9)40(38,57-36(8,55-38)56-39)33(52-27(44)11-2)41(32,39)54-23(5)43/h10,12,15,18,25-26,30,32-33H,11,13-14,16-17,19-20H2,1-9H3/b21-10+/t25-,26+,30-,32-,33-,34+,35-,36+,37-,38-,39+,40+,41-/m0/s1 |
| InChIKey | QEKCNVYECXGGRN-ZZLTUFJJSA-N |
| Literature Reference Author | B.D.LIN,C.R.ZHANG,S.P.YANG,S.ZHANG,Y.WU,J.M.YUE |
| Literature Reference Citation | J.NAT.PROD.,72,1305(2009) |
| Literature Reference DOI | 10.1021/np900139c |
| Molecular Weight | 798.838 g/mol |
| Sample ID | 33214 |
| Solvent | CDCl3 |