Oscillatoxin D
(5-oxooxolan-3-yl) (2R,3R,6S,7S,9R)-2-[(2S,5S)-5-(3-hydroxyphenyl)-5-methoxypentan-2-yl]-3,9,11,11-tetramethyl-8-oxo-1-oxaspiro[5.5]undec-4-ene-7-carboxylate
Also Known As: Oscillatoxin D|(5-Oxooxolan-3-yl) (2R,3R,6S,9R,11S)-2-((2S,5S)-5-(3-hydroxyphenyl)-5-methoxypentan-2-yl)-3,7,7,9-tetramethyl-10-oxo-1-oxaspiro(5.5)undec-4-ene-11-carboxylate|(5-oxooxolan-3-yl) (2R,3R,6S,9R,11S)-2-[(2S,5S)-5-(3-hydroxyphenyl)-5-methoxy-pentan-2-yl]-3,7,7,9-tetramethyl-10-oxo-1-oxaspiro[5.5]undec-4-ene-11-carboxylate|(5-oxooxolan-3-yl) (3R,4R,6S,7S,9R)-4-[(2S,5S)-5-(3-hydroxyphenyl)-5-methoxypentan-2-yl]-3,9,11,11-tetramethyl-8-oxo-5-oxaspiro[5.5]undec-1-ene-7-carboxylate|5-Oxooxolan-3-yl (2R,3R,6S,7S,9R)-2-[(2S,5S)-5-(3-hydroxyphenyl)-5-methoxypentan-2-yl]-3,9,11,11-tetramethyl-8-oxo-1-oxaspiro[5.5]undec-4-ene-7-carboxylate|5-Oxooxolan-3-yl 2-[5-(3-hydroxyphenyl)-5-methoxypentan-2-yl]-3,9,11,11-tetramethyl-8-oxo-1-oxaspiro[5.5]undec-4-ene-7-carboxylate
| Molecular Formula | C31H42O8 |
|---|---|
| Molecular Weight | 542.28796 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 542.28796 |
| Monoisotopic Mass | 542.28796 |
| Heavy Atoms | 39 |
| Complexity | 943.0 |
Chemical Identifiers
| CAS Number | 95069-53-7 |
|---|---|
| SMILES | C[C@@H]1CC([C@]2(C=C[C@H]([C@H](O2)[C@@H](C)CC[C@@H](C3=CC(=CC=C3)O)OC)C)[C@@H](C1=O)C(=O)OC4CC(=O)OC4)(C)C |
| InChIKey | RYBYHPJXPIRVFK-QURPRUPMSA-N |
Product Overview
Oscillatoxin D (CAS 95069-53-7), with molecular formula C31H42O8 and molecular weight 542.28796 g/mol. IUPAC: (5-oxooxolan-3-yl) (2R,3R,6S,7S,9R)-2-[(2S,5S)-5-(3-hydroxyphenyl)-5-methoxypentan-2-yl]-3,9,11,11-tetramethyl-8-oxo-1-oxaspiro[5.5]undec-4-ene-7-carboxylate.