Isoarborinol
(3S,3aS,5aS,9R,11aS,13aR)-3a,5a,8,8,11a,13a-hexamethyl-3-propan-2-yl-1,2,3,4,5,5b,6,7,7a,9,10,11,13,13b-tetradecahydrocyclopenta[a]chrysen-9-ol
Also Known As: Isoarborinol|Fernenol|3beta-Arborinol|Arborinol B|(3S,3aS,5aS,9R,11aS,13aR)-3a,5a,8,8,11a,13a-hexamethyl-3-propan-2-yl-1,2,3,4,5,5b,6,7,7a,9,10,11,13,13b-tetradecahydrocyclopenta[a]chrysen-9-ol|D:C-Friedo-B':A'-neo-8beta,13beta,14alpha,17beta,18alpha,21alphaH-gammacer-9(11)-en-3beta-ol|D:C-Friedo-B':A'-neogammacer-9(11)-en-3-ol, (3beta,8beta,13beta,14alpha,17beta,18alpha,21beta)-
| Molecular Formula | C30H50O |
|---|---|
| Molecular Weight | 426.38617 g/mol |
| LogP | 9.0 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 426.38617 |
| Monoisotopic Mass | 426.38617 |
| Heavy Atoms | 31 |
| Complexity | 777.0 |
Chemical Identifiers
| CAS Number | 5532-41-2 |
|---|---|
| SMILES | CC(C)[C@@H]1CCC2[C@]1(CC[C@@]3([C@@]2(CC=C4C3CCC5[C@@]4(CC[C@H](C5(C)C)O)C)C)C)C |
| InChIKey | VWYANPOOORUCFJ-TZKWAJHPSA-N |
Product Overview
Isoarborinol (CAS 5532-41-2), with molecular formula C30H50O and molecular weight 426.38617 g/mol. IUPAC: (3S,3aS,5aS,9R,11aS,13aR)-3a,5a,8,8,11a,13a-hexamethyl-3-propan-2-yl-1,2,3,4,5,5b,6,7,7a,9,10,11,13,13b-tetradecahydrocyclopenta[a]chrysen-9-ol.