30-Methyloscillatoxin D
(2-methyl-5-oxooxolan-3-yl) (2R,3S,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: 30-Methyloscillatoxin D|(2-Methyl-5-oxo-oxolan-3-yl) (2R,3S,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|(2-methyl-5-oxooxolan-3-yl) (3S,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
| Molecular Formula | C32H44O8 |
|---|---|
| Molecular Weight | 556.3036 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 556.3036 |
| Monoisotopic Mass | 556.3036 |
| Heavy Atoms | 40 |
| Complexity | 974.0 |
Chemical Identifiers
| CAS Number | 95069-54-8 |
|---|---|
| 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)OC4C)(C)C |
| InChIKey | PRHBNKNLOZFUEA-FWUUVAIASA-N |
Product Overview
30-Methyloscillatoxin D (CAS 95069-54-8), with molecular formula C32H44O8 and molecular weight 556.3036 g/mol. IUPAC: (2-methyl-5-oxooxolan-3-yl) (2R,3S,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.
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