| SpectraBase Compound ID | 9GiF6ZN9CUP |
|---|---|
| InChI | InChI=1S/C42H42O23/c43-14-28(52)36(57)37(27(51)12-32(54)55)65-41(60)20-8-18-10-25(49)26(50)11-19(18)34(17-3-5-22(46)24(48)9-17)35(20)42(61)63-30-13-31(40(58)59)62-38(29(53)15-44)39(30)64-33(56)6-2-16-1-4-21(45)23(47)7-16/h1-11,13,27-30,34-39,43-53,57H,12,14-15H2,(H,54,55)(H,58,59)/b6-2+/t27?,28?,29?,30-,34-,35-,36?,37?,38-,39-/m1/s1 |
| InChIKey | MKLCPDMXKJGRLV-ZJQMTUTMSA-N |
| Mol Weight | 914.8 g/mol |
| Molecular Formula | C42H42O23 |
| Exact Mass | 914.211688 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CdZfkKumZ2g |
|---|---|
| Name | TRILOBATIN-H |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H42O23 |
| InChI | InChI=1S/C42H42O23/c43-14-28(52)36(57)37(27(51)12-32(54)55)65-41(60)20-8-18-10-25(49)26(50)11-19(18)34(17-3-5-22(46)24(48)9-17)35(20)42(61)63-30-13-31(40(58)59)62-38(29(53)15-44)39(30)64-33(56)6-2-16-1-4-21(45)23(47)7-16/h1-11,13,27-30,34-39,43-53,57H,12,14-15H2,(H,54,55)(H,58,59)/b6-2+/t27?,28?,29?,30-,34-,35-,36?,37?,38-,39-/m1/s1 |
| InChIKey | MKLCPDMXKJGRLV-ZJQMTUTMSA-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 | 914.782 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVN26921 |