Wilforlide A
(1S,2R,5S,6R,9R,11S,14R,15R,19S,21S)-11-hydroxy-2,5,6,10,10,14,21-heptamethyl-23-oxahexacyclo[19.2.1.02,19.05,18.06,15.09,14]tetracos-17-en-22-one
Also Known As: Wilforlide A|regelide|wolforlide a|Abruslactone A|Wilforlide-A|3-epiabruslactone A|2H)-one|Regelide;Abruslactone A|Wilforlide A (Standard)|(-)-ABRUSLACTONE A|HY-N0476R|EBD4321|CS-AD-00601|HY-N0476|s6428|CS-3763|SID:522924674|3-Hydroxy-22,29-epoxyolean-12-en-29-one|104W712|(1S,2R,5S,6R,9R,11S,14R,15R,19S,21S)-11-hydroxy-2,5,6,10,10,14,21-heptamethyl-23-oxahexacyclo[19.2.1.02,19.05,18.06,15.09,14]tetracos-17-en-22-one|3beta-Hydroxy-22alpha-22,29-epoxyolean-12-en-29-one|3beta,22alpha-Dihydroxyolean-12-en-29-oic acid gamma-lactone
| Molecular Formula | C30H46O3 |
|---|---|
| Molecular Weight | 454.3447 g/mol |
| LogP | 6.9 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 454.3447 |
| Monoisotopic Mass | 454.3447 |
| Heavy Atoms | 33 |
| Complexity | 935.0 |
Chemical Identifiers
| CAS Number | 84104-71-2 |
|---|---|
| SMILES | C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4C[C@]6(C[C@@H]5OC6=O)C)C)C)C)(C)C)O |
| InChIKey | HHQJBWYXBWOFJY-YLXTXNMFSA-N |
Product Overview
Wilforlide A (CAS 84104-71-2), with molecular formula C30H46O3 and molecular weight 454.3447 g/mol. IUPAC: (1S,2R,5S,6R,9R,11S,14R,15R,19S,21S)-11-hydroxy-2,5,6,10,10,14,21-heptamethyl-23-oxahexacyclo[19.2.1.02,19.05,18.06,15.09,14]tetracos-17-en-22-one.
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