Labdane
(1S,2S,4aS,8aR)-2,5,5,8a-tetramethyl-1-[(3R)-3-methylpentyl]-1,2,3,4,4a,6,7,8-octahydronaphthalene
Also Known As: labdane|2alpha,3alpha-Dihydroxy-labda-8(17),12(13),14(15)-triene|(1S,2S,4aS,8aR)-2,5,5,8a-tetramethyl-1-[(3R)-3-methylpentyl]-1,2,3,4,4a,6,7,8-octahydronaphthalene|(4aR,5S,6S,8aS)-1,1,4a,6-tetramethyl-5-[(3R)-3-methylpentyl]-decahydronaphthalene|(4aR,5S,6S,8aS)-1,1,4a,6-Tetramethyl-5-[(3R)-3-methylpentyl]decahydronaphthalene
| Molecular Formula | C20H38 |
|---|---|
| Molecular Weight | 278.29736 g/mol |
| LogP | 6.6914 |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 4 |
| Exact Mass | 278.29736 |
| Monoisotopic Mass | 278.29736 |
| Heavy Atoms | 20 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 561-90-0 |
|---|---|
| SMILES | CC[C@@H](C)CC[C@H]1[C@H](CC[C@@H]2[C@@]1(CCCC2(C)C)C)C |
Product Overview
Labdane (CAS 561-90-0), with molecular formula C20H38 and molecular weight 278.29736 g/mol. IUPAC: (1S,2S,4aS,8aR)-2,5,5,8a-tetramethyl-1-[(3R)-3-methylpentyl]-1,2,3,4,4a,6,7,8-octahydronaphthalene.
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