AC1L9C0U
[(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-acetyloxy-3-ethenyl-6,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-10-yl] acetate
Also Known As: NCI60_036515|(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5,10-Bis(acetyloxy)-3-ethenyldodecahydro-6,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1H-naphtho[2,1-b]pyran-1-one|[(3r,4ar,5s,6s,6as,10s,10ar,10bs)-10-acetoxy-6,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyl-5,6,6a,8,9,10-hexahydro-2h-benzo[f]chromen-5-yl] acetate|[(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-acetyloxy-3-ethenyl-6,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-10-yl] acetate
| Molecular Formula | C24H36O8 |
|---|---|
| Molecular Weight | 452.24103 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 452.24103 |
| Monoisotopic Mass | 452.24103 |
| Heavy Atoms | 32 |
| Complexity | 851.0 |
Chemical Identifiers
| CAS Number | 64657-22-3 |
|---|---|
| SMILES | CC(=O)O[C@H]1CCC([C@H]2[C@]1([C@]3(C(=O)C[C@](O[C@@]3([C@H]([C@H]2O)OC(=O)C)C)(C)C=C)O)C)(C)C |
| InChIKey | YUEPOKPCXPPNOO-AQLRWBRBSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
AC1L9C0U (CAS 64657-22-3), with molecular formula C24H36O8 and molecular weight 452.24103 g/mol. IUPAC: [(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-acetyloxy-3-ethenyl-6,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-10-yl] acetate.
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