Maniladiol
(3S,4aR,6aR,6bS,8S,8aS,12aS,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,8-diol
Also Known As: Maniladiol|Olean-12-ene-3,16-diol|KST-1A6503|(9xi)-Olean-12-ene-3beta,16beta-diol|(3|A,9|I,16|A)-olean-12-ene-3,16-diol|Olean-12-ene-3,16-diol, (3beta,16beta)-|(3S,4aR,6aR,6bS,8S,8aS,12aS,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,8-diol
| Molecular Formula | C30H50O2 |
|---|---|
| Molecular Weight | 442.38107 g/mol |
| LogP | 7.14 |
| Topological Polar Surface Area | 40.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 442.38107 |
| Heavy Atoms | 32 |
| Complexity | 824.7 |
Chemical Identifiers
| CAS Number | 595-17-5 |
|---|---|
| SMILES | C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3(C2CC=C4[C@]3(C[C@@H]([C@@]5([C@H]4CC(CC5)(C)C)C)O)C)C)(C)C)O |
Product Overview
Maniladiol (CAS 595-17-5), with molecular formula C30H50O2 and molecular weight 442.38107 g/mol. IUPAC: (3S,4aR,6aR,6bS,8S,8aS,12aS,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,8-diol.
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