Panaxadiol
(3S,5R,8R,9R,10R,12R,13R,14R,17S)-4,4,8,10,14-pentamethyl-17-[(2R)-2,6,6-trimethyloxan-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol
| Molecular Formula | C30H52O3 |
|---|---|
| Molecular Weight | 460.7 g/mol |
| LogP | 6.9 |
| Topological Polar Surface Area | 49.7 A2 |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 460.39163 |
| Heavy Atoms | 33 |
| Complexity | 789.0 |
Chemical Identifiers
| CAS Number | 19666-76-3 |
|---|---|
| SMILES | CC1(CCCC(O1)(C)C2CCC3(C2C(CC4C3(CCC5C4(CCC(C5(C)C)O)C)C)O)C)C |
| InChIKey | PVLHOJXLNBFHDX-XHJPDDKBSA-N |
📖 Product Overview
Panaxadiol (CAS: 19666-76-3) is a chemical compound with molecular formula C30H52O3 and molecular weight 460.7 g/mol. Its IUPAC systematic name is (3S,5R,8R,9R,10R,12R,13R,14R,17S)-4,4,8,10,14-pentamethyl-17-[(2R)-2,6,6-trimethyloxan-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol.
PVLHOJXLNBFHDX-XHJPDDKBSA-N.
SMILES: CC1(CCCC(O1)(C)C2CCC3(C2C(CC4C3(CCC5C4(CCC(C5(C)C)O)C)C)O)C)C.
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