| SpectraBase Compound ID | 6jvp7rMq1yr |
|---|---|
| InChI | InChI=1S/C32H38O8/c1-8-17(2)29(36)40-28-20-13-19-21(32(6,26(20)35)23(30(28,3)4)15-24(33)37-7)9-11-31(5)22(19)14-25(34)39-27(31)18-10-12-38-16-18/h8,10,12-14,16,20-21,23,27-28H,9,11,15H2,1-7H3/b17-8+/t20-,21?,23+,27+,28-,31-,32-/m1/s1 |
| InChIKey | MKIZJFJIMPCOMB-GHEYKIDSSA-N |
| Mol Weight | 550.6 g/mol |
| Molecular Formula | C32H38O8 |
| Exact Mass | 550.256668 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L3nrogKRj3S |
|---|---|
| Name | TIGLOYLSENEGANOLIDE_A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H38O8 |
| InChI | InChI=1S/C32H38O8/c1-8-17(2)29(36)40-28-20-13-19-21(32(6,26(20)35)23(30(28,3)4)15-24(33)37-7)9-11-31(5)22(19)14-25(34)39-27(31)18-10-12-38-16-18/h8,10,12-14,16,20-21,23,27-28H,9,11,15H2,1-7H3/b17-8+/t20-,21?,23+,27+,28-,31-,32-/m1/s1 |
| InChIKey | MKIZJFJIMPCOMB-GHEYKIDSSA-N |
| Literature Reference Author | L.S.GAN,X.N.WANG,Y.WU,J.M.YUE |
| Literature Reference Citation | J.NAT.PROD.,70,1344(2007) |
| Literature Reference DOI | 10.1021/np070229t |
| Molecular Weight | 550.649 g/mol |
| Sample ID | 31465 |
| Solvent | CDCl3 |