| SpectraBase Compound ID | 6ap33g7vtQc |
|---|---|
| InChI | InChI=1S/C42H52O17/c1-11-29(48)55-37-32(52-23(3)43)36(54-25(5)45)39(8,9)19-17-22(2)33(50)42(58-27(7)47)21-40(10,57-26(6)46)34(53-24(4)44)31(42)35-41(37,20-18-30(49)56-35)59-38(51)28-15-13-12-14-16-28/h12-17,19,22,31-32,34-37H,11,18,20-21H2,1-10H3/b19-17+/t22-,31+,32-,34+,35+,36+,37-,40+,41-,42+/m0/s1 |
| InChIKey | RWLVXMJEPKADFX-ABERPYPQSA-N |
| Mol Weight | 828.9 g/mol |
| Molecular Formula | C42H52O17 |
| Exact Mass | 828.32045 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D5n46povbW8 |
|---|---|
| Name | TERRACINOLIDE-E |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H52O17 |
| InChI | InChI=1S/C42H52O17/c1-11-29(48)55-37-32(52-23(3)43)36(54-25(5)45)39(8,9)19-17-22(2)33(50)42(58-27(7)47)21-40(10,57-26(6)46)34(53-24(4)44)31(42)35-41(37,20-18-30(49)56-35)59-38(51)28-15-13-12-14-16-28/h12-17,19,22,31-32,34-37H,11,18,20-21H2,1-10H3/b19-17+/t22-,31+,32-,34+,35+,36+,37-,40+,41-,42+/m0/s1 |
| InChIKey | RWLVXMJEPKADFX-ABERPYPQSA-N |
| Literature Reference Author | J.A.MARCO,J.F.SANZ-CERVERA,A.YUSTE,J.JAKUPOVIC |
| Literature Reference Citation | PHYTOCHEM.,45,137(1997) |
| Literature Reference DOI | 10.1016/S0031-9422(96)00797-2 |
| Molecular Weight | 828.865 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSP1236 |