| SpectraBase Compound ID | 4Zo0s93dT8j |
|---|---|
| InChI | InChI=1S/C41H50O17/c1-21-16-18-38(8,9)35(53-24(4)44)31(51-22(2)42)36(54-25(5)45)40(58-37(50)28-14-12-11-13-15-28)19-17-29(48)55-34(40)30-33(52-23(3)43)39(10,56-26(6)46)20-41(30,32(21)49)57-27(7)47/h11-16,18,21,30-31,33-36H,17,19-20H2,1-10H3/b18-16+/t21-,30+,31-,33+,34+,35+,36-,39+,40-,41+/m0/s1 |
| InChIKey | HXUOSHVQEFQFEB-XEVWNLNRSA-N |
| Mol Weight | 814.8 g/mol |
| Molecular Formula | C41H50O17 |
| Exact Mass | 814.3048 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ETIS2rThXGh |
|---|---|
| Name | TERRACINOLIDE-D |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H50O17 |
| InChI | InChI=1S/C41H50O17/c1-21-16-18-38(8,9)35(53-24(4)44)31(51-22(2)42)36(54-25(5)45)40(58-37(50)28-14-12-11-13-15-28)19-17-29(48)55-34(40)30-33(52-23(3)43)39(10,56-26(6)46)20-41(30,32(21)49)57-27(7)47/h11-16,18,21,30-31,33-36H,17,19-20H2,1-10H3/b18-16+/t21-,30+,31-,33+,34+,35+,36-,39+,40-,41+/m0/s1 |
| InChIKey | HXUOSHVQEFQFEB-XEVWNLNRSA-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 | 814.838 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSP1235 |