| SpectraBase Compound ID | 4PNIUN7BWcz |
|---|---|
| InChI | InChI=1S/C43H34O22/c44-22-3-1-14(7-23(22)45)32-18-10-26(48)24(46)8-15(18)5-20(34(32)39(55)56)43(61)65-37-29(12-31(50)51)62-13-30(36(37)52)64-42(60)21-6-16-9-25(47)27(49)11-19(16)33(35(21)40(57)58)17-2-4-28(38(53)54)63-41(17)59/h1-11,29-30,32-37,44-49,52H,12-13H2,(H,50,51)(H,53,54)(H,55,56)(H,57,58)/t29-,30-,32+,33+,34+,35+,36-,37-/m0/s1 |
| InChIKey | WBDDOBOPOLSOQE-RRCQXNJASA-N |
| Mol Weight | 902.7 g/mol |
| Molecular Formula | C43H34O22 |
| Exact Mass | 902.154173 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9SlAAV3vmEX |
|---|---|
| Name | TRILOBATIN-F |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H34O22 |
| InChI | InChI=1S/C43H34O22/c44-22-3-1-14(7-23(22)45)32-18-10-26(48)24(46)8-15(18)5-20(34(32)39(55)56)43(61)65-37-29(12-31(50)51)62-13-30(36(37)52)64-42(60)21-6-16-9-25(47)27(49)11-19(16)33(35(21)40(57)58)17-2-4-28(38(53)54)63-41(17)59/h1-11,29-30,32-37,44-49,52H,12-13H2,(H,50,51)(H,53,54)(H,55,56)(H,57,58)/t29-,30-,32+,33+,34+,35+,36-,37-/m0/s1 |
| InChIKey | WBDDOBOPOLSOQE-RRCQXNJASA-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 | 902.730 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVN26919 |