[(3S,5S,10S,13R,14S,17R)-10-formyl-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-methylpropanoate
[(3S,5S,10S,13R,14S,17R)-10-formyl-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-methylpropanoate
| Molecular Formula | C27H38O7 |
|---|---|
| Molecular Weight | 474.6 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 110.0 A2 |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 474.26175 |
| Heavy Atoms | 34 |
| Complexity | 926.0 |
Chemical Identifiers
| CAS Number | 63979-70-4 |
|---|---|
| SMILES | CC(C)C(=O)OC1CCC2(C3CCC4(C(CCC4(C3CCC2(C1)O)O)C5=CC(=O)OC5)C)C=O |
| InChIKey | UBGSEHGYRYHFHA-RHEGXVRHSA-N |
📖 Product Overview
[(3S,5S,10S,13R,14S,17R)-10-formyl-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-methylpropanoate (CAS: 63979-70-4) is a chemical compound with molecular formula C27H38O7 and molecular weight 474.6 g/mol. Its IUPAC systematic name is [(3S,5S,10S,13R,14S,17R)-10-formyl-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-methylpropanoate.
UBGSEHGYRYHFHA-RHEGXVRHSA-N.
SMILES: CC(C)C(=O)OC1CCC2(C3CCC4(C(CCC4(C3CCC2(C1)O)O)C5=CC(=O)OC5)C)C=O.
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