alpha-Amyrenone
(4aR,6aR,6bS,8aR,11R,12S,12aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydropicen-3-one
Also Known As: alpha-Amyrenone|Urs-12-en-3-one|.alpha.-Amyrenone|(9xi)-urs-12-en-3-one|(4aR,6aR,6bS,8aR,11R,12S,12aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydropicen-3-one|(4aR,6aR,6bS,8aR,11R,12S,12aR,14bR)-4,4,6a,6b,8a,11,12,14b-Octamethyl-1,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-octadecahydro-2H-picen-3-one
| Molecular Formula | C30H48O |
|---|---|
| Molecular Weight | 424.3705 g/mol |
| LogP | 8.7 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 424.3705 |
| Monoisotopic Mass | 424.3705 |
| Heavy Atoms | 31 |
| Complexity | 820.0 |
Chemical Identifiers
| CAS Number | 638-96-0 |
|---|---|
| SMILES | C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CCC4[C@]3(CC[C@@H]5[C@@]4(CCC(=O)C5(C)C)C)C)[C@@H]2[C@H]1C)C)C |
| InChIKey | DIFWJJFSELKWGA-ULFFALGTSA-N |
Product Overview
alpha-Amyrenone (CAS 638-96-0), with molecular formula C30H48O and molecular weight 424.3705 g/mol. IUPAC: (4aR,6aR,6bS,8aR,11R,12S,12aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydropicen-3-one.
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