| SpectraBase Compound ID | FHdrgdevXdF |
|---|---|
| InChI | InChI=1S/C32H52O5/c1-9-36-27-19(18-23(37-27)26(34)29(4,5)35)20-12-16-32(8)22-10-11-24-28(2,3)25(33)14-15-30(24,6)21(22)13-17-31(20,32)7/h10,19-21,23-24,26-27,34-35H,9,11-18H2,1-8H3/t19-,20-,21-,23+,24-,26-,27-,30+,31-,32+/m0/s1 |
| InChIKey | IMIFPTNQMZAQRL-GFYVDCOPSA-N |
| Mol Weight | 516.8 g/mol |
| Molecular Formula | C32H52O5 |
| Exact Mass | 516.381475 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8Hq19Yex3I2 |
|---|---|
| Name | Toonaciliatin K |
| Appearance | White powder |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C32H52O5 |
| InChI | InChI=1S/C32H52O5/c1-9-36-27-19(18-23(37-27)26(34)29(4,5)35)20-12-16-32(8)22-10-11-24-28(2,3)25(33)14-15-30(24,6)21(22)13-17-31(20,32)7/h10,19-21,23-24,26-27,34-35H,9,11-18H2,1-8H3/t19-,20-,21-,23+,24-,26-,27-,30+,31-,32+/m0/s1 |
| InChIKey | IMIFPTNQMZAQRL-GFYVDCOPSA-N |
| Instrument Name | Finnigan MAT 95 |
| Ionization Type | EI positive ion |
| Literature Reference DOI | 10.1021/np800811b |
| Molecular Weight | 516.763 g/mol |
| Optical Rotation | [a]D21 = +10.0 (c = 0.050, CHCl3) |
| Reported Formula | C32H52O5 |
| SMILES | OC([C@]([C@@]1(O[C@@]([C@]([C@]2([C@@]3(CC[C@]4(C(=CC[C@@]5([C@@]4(CCC(C5(C)C)=O)C)[H])[C@]3(CC2)C)[H])C)[H])(C1)[H])(OCC)[H])[H])(O)[H])(C)C |
| SPLASH | splash10-05ot-5944300000-e514e03ffaeb37d5599f |
| Source of Spectrum | G4-72-SM32-4 |
| Wiley ID | 1872173 |