Uvaol
(3R,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-ol
Also Known As: Uvaol|(3|A)-urs-12-ene-3,28-diol|KST-1A5912|(3ALPHA)-URS-12-ENE-3,28-DIOL|(3R,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-ol
| Molecular Formula | C30H50O2 |
|---|---|
| Molecular Weight | 442.38107 g/mol |
| LogP | 7.4 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 442.38107 |
| Monoisotopic Mass | 442.38107 |
| Heavy Atoms | 32 |
| Complexity | 799.0 |
Chemical Identifiers
| CAS Number | 987-94-0 |
|---|---|
| SMILES | C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@H](C5(C)C)O)C)C)[C@@H]2[C@H]1C)C)CO |
| InChIKey | XUARCIYIVXVTAE-HGBZRQGGSA-N |
Product Overview
Uvaol (CAS 987-94-0), with molecular formula C30H50O2 and molecular weight 442.38107 g/mol. IUPAC: (3R,4aR,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-ol.
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