(3S,5S,10S,13R,14S)-3,5,14-trihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15-decahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
(3S,5S,10S,13R,14S)-3,5,14-trihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15-decahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
| Molecular Formula | C23H30O6 |
|---|---|
| Molecular Weight | 402.5 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 104.0 A2 |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 402.20422 |
| Heavy Atoms | 29 |
| Complexity | 831.0 |
Chemical Identifiers
| CAS Number | 6980-14-9 |
|---|---|
| SMILES | CC12CCC3C(C1(CC=C2C4=CC(=O)OC4)O)CCC5(C3(CCC(C5)O)C=O)O |
| InChIKey | HWGUYGUHKLZAGR-JVXUQKQUSA-N |
📖 Product Overview
(3S,5S,10S,13R,14S)-3,5,14-trihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15-decahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde (CAS: 6980-14-9) is a chemical compound with molecular formula C23H30O6 and molecular weight 402.5 g/mol. Its IUPAC systematic name is (3S,5S,10S,13R,14S)-3,5,14-trihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15-decahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde.
HWGUYGUHKLZAGR-JVXUQKQUSA-N.
SMILES: CC12CCC3C(C1(CC=C2C4=CC(=O)OC4)O)CCC5(C3(CCC(C5)O)C=O)O.
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