DTXSID30958848
[(3S,5S,10S,13R,14S)-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] benzoate
| Molecular Formula | C30H36O7 |
|---|---|
| Molecular Weight | 508.6 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 110.0 A2 |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 508.2461 |
| Heavy Atoms | 37 |
| Complexity | 1000.0 |
Chemical Identifiers
| CAS Number | 37811-84-0 |
|---|---|
| SMILES | CC12CCC3C(C1(CCC2C4=CC(=O)OC4)O)CCC5(C3(CCC(C5)OC(=O)C6=CC=CC=C6)C=O)O |
| InChIKey | MDJKDJJYSDHBSV-HSEJSDLCSA-N |
📖 Product Overview
DTXSID30958848 (CAS: 37811-84-0) is a chemical compound with molecular formula C30H36O7 and molecular weight 508.6 g/mol. Its IUPAC systematic name is [(3S,5S,10S,13R,14S)-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] benzoate.
MDJKDJJYSDHBSV-HSEJSDLCSA-N.
SMILES: CC12CCC3C(C1(CCC2C4=CC(=O)OC4)O)CCC5(C3(CCC(C5)OC(=O)C6=CC=CC=C6)C=O)O.
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