| SpectraBase Compound ID | 8AqdyZHtSyD |
|---|---|
| InChI | InChI=1S/C41H54O16/c1-21(2)36(47)56-35-30(51-23(4)42)34(53-25(6)44)38(8,9)18-16-22(3)31(52-24(5)43)41(50)20-39(10,57-26(7)45)32-29(41)33(40(35,49)19-17-28(46)54-32)55-37(48)27-14-12-11-13-15-27/h11-16,18,21-22,29-35,49-50H,17,19-20H2,1-10H3/b18-16-/t22?,29-,30+,31+,32-,33+,34?,35-,39-,40+,41-/m1/s1 |
| InChIKey | RQFYCDKVNJQUSN-SVQYUZLYSA-N |
| Mol Weight | 802.9 g/mol |
| Molecular Formula | C41H54O16 |
| Exact Mass | 802.341186 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A79LhEDA9Zs |
|---|---|
| Name | ISOTERRACINOLIDE-A |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H54O16 |
| InChI | InChI=1S/C41H54O16/c1-21(2)36(47)56-35-30(51-23(4)42)34(53-25(6)44)38(8,9)18-16-22(3)31(52-24(5)43)41(50)20-39(10,57-26(7)45)32-29(41)33(40(35,49)19-17-28(46)54-32)55-37(48)27-14-12-11-13-15-27/h11-16,18,21-22,29-35,49-50H,17,19-20H2,1-10H3/b18-16-/t22?,29-,30+,31+,32-,33+,34?,35-,39-,40+,41-/m1/s1 |
| InChIKey | RQFYCDKVNJQUSN-SVQYUZLYSA-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 | 802.870 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS19136 |