| 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 |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GuNVvYSMLXC |
|---|---|
| Name | Tigloylseneganolide A |
| Appearance | White, amorphous solid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. 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 |
| Instrument Name | Finnigan MAT 95 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np070229t |
| Molecular Weight | 550.648 g/mol |
| Optical Rotation | [a]D20 = +268 (c = 0.05, MeOH) |
| Reported Formula | C32H38O8 |
| SMILES | C1C[C@@]2(C(=CC(=O)O[C@]2(c2ccoc2)[H])C=2C1[C@@]1(C)C(=O)[C@@](C2)([C@@](OC(=O)\C(C)=C\C)(C(C)(C)[C@@]1(CC(=O)OC)[H])[H])[H])C |
| SPLASH | splash10-001i-9001010000-db0a287dcfc084785c45 |
| Source of Spectrum | G4-70-1347-1 |
| Wiley ID | 1874624 |