Vinhaticyl acetate
[(4R,4aR,6aS,7R,11aS,11bR)-4,7,11b-trimethyl-1,2,3,4a,5,6,6a,7,11,11a-decahydronaphtho[2,1-f][1]benzofuran-4-yl]methyl acetate
Also Known As: Vinhaticyl acetate|Phenanthro(3,2-b)furan-4-methanol, 1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodecahydro-4,7,11b-trimethyl-, acetate, (4R-(4alpha,4aalpha,6abeta,7alpha,11aalpha,11bbeta))-|(4,7,11b-Trimethyl-1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodecahydrophenanthro[3,2-b]furan-4-yl)methyl acetate|[(4R,4aR,6aS,7R,11aS,11bR)-4,7,11b-trimethyl-1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodecahydrophenanthro[3,2-b]furan-4-yl]methyl acetate|[(4R,4aR,6aS,7R,11aS,11bR)-4,7,11b-trimethyl-1,2,3,4a,5,6,6a,7,11,11a-decahydronaphtho[2,1-f][1]benzofuran-4-yl]methyl acetate
| Molecular Formula | C22H32O3 |
|---|---|
| Molecular Weight | 344.23514 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 39.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 344.23514 |
| Monoisotopic Mass | 344.23514 |
| Heavy Atoms | 25 |
| Complexity | 531.0 |
Chemical Identifiers
| CAS Number | 83807-70-9 |
|---|---|
| SMILES | C[C@@H]1[C@@H]2CC[C@H]3[C@](CCC[C@@]3([C@H]2CC4=C1C=CO4)C)(C)COC(=O)C |
| InChIKey | AJKLRWLLBORSIX-FMKAMBKWSA-N |
Product Overview
Vinhaticyl acetate (CAS 83807-70-9), with molecular formula C22H32O3 and molecular weight 344.23514 g/mol. IUPAC: [(4R,4aR,6aS,7R,11aS,11bR)-4,7,11b-trimethyl-1,2,3,4a,5,6,6a,7,11,11a-decahydronaphtho[2,1-f][1]benzofuran-4-yl]methyl acetate.
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