Parkeol
(3S,8S,10S,13R,14S,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,5,6,7,8,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
Also Known As: Parkeol|Lanost-9(11)-en-3-ol|Lanost-9(11)-en-3beta-ol|lanost-9(11)-en-3 beta-ol|KST-1A3933|(3|A,5xi)-lanost-9(11)-en-3-ol|Lanost-9(11)-en-3-ol, (3beta)-|(3S,8S,10S,13R,14S,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,5,6,7,8,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
| Molecular Formula | C30H52O |
|---|---|
| Molecular Weight | 428.40182 g/mol |
| LogP | 9.7 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 428.40182 |
| Monoisotopic Mass | 428.40182 |
| Heavy Atoms | 31 |
| Complexity | 703.0 |
Chemical Identifiers
| CAS Number | 3374-41-2 |
|---|---|
| SMILES | C[C@H](CCCC(C)C)[C@H]1CC[C@@]2([C@@]1(CC=C3[C@H]2CCC4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C |
| InChIKey | XHMHQMBOUUDXGO-FMRPICADSA-N |
Product Overview
Parkeol (CAS 3374-41-2), with molecular formula C30H52O and molecular weight 428.40182 g/mol. IUPAC: (3S,8S,10S,13R,14S,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,5,6,7,8,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol.
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