| SpectraBase Compound ID | 2izY2D02ekS |
|---|---|
| InChI | InChI=1S/C52H46O26/c53-19-35(63)45-47(77-41(65)9-3-21-1-6-27(55)30(58)11-21)37(17-39(73-45)49(67)68)75-51(71)26-13-24-15-33(61)34(62)16-25(24)43(23-5-8-29(57)32(60)14-23)44(26)52(72)76-38-18-40(50(69)70)74-46(36(64)20-54)48(38)78-42(66)10-4-22-2-7-28(56)31(59)12-22/h1-18,35-38,43-48,53-64H,19-20H2,(H,67,68)(H,69,70)/b9-3+,10-4+/t35?,36?,37-,38+,43+,44+,45-,46+,47-,48+/m0/s1 |
| InChIKey | SQEKKTRQFRWOBO-DWWNMODDSA-N |
| Mol Weight | 1086.9 g/mol |
| Molecular Formula | C52H46O26 |
| Exact Mass | 1086.227732 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | La13q9ojmN |
|---|---|
| Name | TRILOBATIN-J |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H46O26 |
| InChI | InChI=1S/C52H46O26/c53-19-35(63)45-47(77-41(65)9-3-21-1-6-27(55)30(58)11-21)37(17-39(73-45)49(67)68)75-51(71)26-13-24-15-33(61)34(62)16-25(24)43(23-5-8-29(57)32(60)14-23)44(26)52(72)76-38-18-40(50(69)70)74-46(36(64)20-54)48(38)78-42(66)10-4-22-2-7-28(56)31(59)12-22/h1-18,35-38,43-48,53-64H,19-20H2,(H,67,68)(H,69,70)/b9-3+,10-4+/t35?,36?,37-,38+,43+,44+,45-,46+,47-,48+/m0/s1 |
| InChIKey | SQEKKTRQFRWOBO-DWWNMODDSA-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 | 1086.922 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVN26923 |