| SpectraBase Compound ID | 6626X6ucRNd |
|---|---|
| InChI | InChI=1S/C45H62O8/c1-31-13-19-44(6)36(9-7-11-38(44)42(31,4)20-15-34-17-23-49-26-34)28-51-40(47)25-41(48)52-29-37-10-8-12-39-43(5,21-16-35-18-24-50-27-35)32(2)14-22-45(37,39)30-53-33(3)46/h9-10,17-18,23-24,26-27,31-32,38-39H,7-8,11-16,19-22,25,28-30H2,1-6H3/t31-,32-,38-,39-,42+,43+,44+,45-/m1/s1 |
| InChIKey | SIONFNTUVPDUQX-RGUWHMKHSA-N |
| Mol Weight | 731.0 g/mol |
| Molecular Formula | C45H62O8 |
| Exact Mass | 730.444469 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5DVT0yRBGrJ |
|---|---|
| Name | BACCHALEJIN-3 |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H62O8 |
| InChI | InChI=1S/C45H62O8/c1-31-13-19-44(6)36(9-7-11-38(44)42(31,4)20-15-34-17-23-49-26-34)28-51-40(47)25-41(48)52-29-37-10-8-12-39-43(5,21-16-35-18-24-50-27-35)32(2)14-22-45(37,39)30-53-33(3)46/h9-10,17-18,23-24,26-27,31-32,38-39H,7-8,11-16,19-22,25,28-30H2,1-6H3/t31-,32-,38-,39-,42+,43+,44+,45-/m1/s1 |
| InChIKey | SIONFNTUVPDUQX-RGUWHMKHSA-N |
| Literature Reference Author | C.LABBE,M.CASTILLO,M.HERNANDEZ |
| Literature Reference Citation | PHYTOCHEM.,30,1607(1991) |
| Literature Reference DOI | 10.1016/0031-9422(91)84217-G |
| Molecular Weight | 730.982 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS26096 |