| SpectraBase Compound ID | 9ghX2AjMptz |
|---|---|
| InChI | InChI=1S/C40H52O16/c1-10-27(45)53-35-30(50-22(3)41)34(52-24(5)43)37(7,8)18-16-21(2)31(51-23(4)42)40(49)20-38(9,56-25(6)44)32-29(40)33(39(35,48)19-17-28(46)54-32)55-36(47)26-14-12-11-13-15-26/h11-16,18,21,29-35,48-49H,10,17,19-20H2,1-9H3/b18-16-/t21-,29+,30-,31?,32+,33-,34?,35+,38+,39-,40+/m0/s1 |
| InChIKey | ZHFSHSINQXHDKT-RRXMUWKDSA-N |
| Mol Weight | 788.8 g/mol |
| Molecular Formula | C40H52O16 |
| Exact Mass | 788.325536 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8Dq7QVMugBx |
|---|---|
| Name | ISOTERRACINOLIDE-B |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H52O16 |
| InChI | InChI=1S/C40H52O16/c1-10-27(45)53-35-30(50-22(3)41)34(52-24(5)43)37(7,8)18-16-21(2)31(51-23(4)42)40(49)20-38(9,56-25(6)44)32-29(40)33(39(35,48)19-17-28(46)54-32)55-36(47)26-14-12-11-13-15-26/h11-16,18,21,29-35,48-49H,10,17,19-20H2,1-9H3/b18-16-/t21-,29+,30-,31?,32+,33-,34?,35+,38+,39-,40+/m0/s1 |
| InChIKey | ZHFSHSINQXHDKT-RRXMUWKDSA-N |
| Literature Reference Author | J.A.MARCO,J.F.SANZ-CERVERA,A.YUSTE,J.JAKUPOVIC |
| Literature Reference Citation | J.NAT.PROD.,62,110(1999) |
| Literature Reference DOI | 10.1021/np980333y |
| Molecular Weight | 788.843 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS19137 |