Protopanaxadiol
(3S,8R,9R,10R,12R,13R,14S,17S)-17-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol
Also Known As: Protopanaxadiol|(3S,8R,9R,10R,12R,13R,14S,17S)-17-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-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 | 460.39163 g/mol |
| LogP | 6.5006 |
| Topological Polar Surface Area | 60.69 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 460.39163 |
| Monoisotopic Mass | 460.39163 |
| Heavy Atoms | 33 |
| Complexity | 779.4112 |
Chemical Identifiers
| CAS Number | 7755-01-3 |
|---|---|
| SMILES | CC(=CCC[C@](C)([C@H]1CC[C@]2([C@@H]1[C@@H](C[C@H]3[C@]2(CCC4[C@@]3(CC[C@@H](C4(C)C)O)C)C)O)C)O)C |
Product Overview
Protopanaxadiol (CAS 7755-01-3), with molecular formula C30H52O3 and molecular weight 460.39163 g/mol. IUPAC: (3S,8R,9R,10R,12R,13R,14S,17S)-17-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol.
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