| SpectraBase Compound ID | ED3ymo4SJ9z |
|---|---|
| InChI | InChI=1S/C43H42O23/c44-14-28(52)37-39(65-33(54)6-2-16-1-4-21(45)23(47)7-16)31(13-32(63-37)41(58)59)64-43(61)35-20(42(60)66-38-30(12-27(51)40(56)57)62-15-29(53)36(38)55)8-18-10-25(49)26(50)11-19(18)34(35)17-3-5-22(46)24(48)9-17/h1-11,13,27-31,34-39,44-53,55H,12,14-15H2,(H,56,57)(H,58,59)/b6-2+/t27?,28?,29-,30-,31+,34+,35+,36-,37+,38-,39+/m0/s1 |
| InChIKey | DAOFETOHYLHCHF-QIHHNJSMSA-N |
| Mol Weight | 926.8 g/mol |
| Molecular Formula | C43H42O23 |
| Exact Mass | 926.211688 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LWS9zwi9y7w |
|---|---|
| Name | TRILOBATIN-I |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H42O23 |
| InChI | InChI=1S/C43H42O23/c44-14-28(52)37-39(65-33(54)6-2-16-1-4-21(45)23(47)7-16)31(13-32(63-37)41(58)59)64-43(61)35-20(42(60)66-38-30(12-27(51)40(56)57)62-15-29(53)36(38)55)8-18-10-25(49)26(50)11-19(18)34(35)17-3-5-22(46)24(48)9-17/h1-11,13,27-31,34-39,44-53,55H,12,14-15H2,(H,56,57)(H,58,59)/b6-2+/t27?,28?,29-,30-,31+,34+,35+,36-,37+,38-,39+/m0/s1 |
| InChIKey | DAOFETOHYLHCHF-QIHHNJSMSA-N |
| Literature Reference Author | J.M.SCHER,J.ZAPP,H.BECKER |
| Literature Reference Citation | PHYTOCHEM.,62,769(2003) |
| Literature Reference DOI | 10.1016/S0031-9422(02)00626-X |
| Molecular Weight | 926.793 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVN26922 |