| SpectraBase Compound ID | HtFtphT47ei |
|---|---|
| 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-NIMZTIFYSA-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 | 5mr2mrlSh4s |
|---|---|
| Name | (21R,23R)-Epoxy-21-.beta.-ethoxy-24S,25-dihydroxy-apotirucalla-7-en-3-one |
| 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-NIMZTIFYSA-N |
| Molecular Weight | 516.763 g/mol |
| SMILES | OC([C@]([C@]1(CC([C@]2([C@]3([C@@](C=4[C@]([C@@]5([C@@](C(C(=O)CC5)(C)C)([H])CC4)C)([H])CC3)(CC2)C)C)[H])[C@](O1)(OCC)[H])[H])(O)[H])(C)C |
| SPLASH | splash10-0002-7857900000-610bcd95153e7890a3de |
| Source of Spectrum | G4-72-688-4 |
| Synonyms | Toonaciliatin K |
| Wiley ID | 1702059 |