Basic information
- Standard SMILES
C/C=C(\C)[C@H]1O[C@]2(C)C[C@@H](O)[C@@H]3C(C)(C)CCC(=O)[C@]3(C)[C@H]2[C@@H]1O- InChIKey
SORDASWZVRTIAH-RHKDIGOASA-N- Molecular formula
- C20H32O4
- Average molar mass
- 336.5 g/mol
- Monoisotopic mass
- 336.2300595
Names & identifiers
- Preferred name
- (1S,2R,3aR,5R,5aR,9aS,9bS)-2-[(E)-but-2-en-2-yl]-1,5-dihydroxy-3a,6,6,9a-tetramethyl-1,2,4,5,5a,7,8,9b-octahydrobenzo[e][1]benzofuran-9-one
- IUPAC
- (1S,2R,3aR,5R,5aR,9aS,9bS)-2-[(E)-but-2-en-2-yl]-1,5-dihydroxy-3a,6,6,9a-tetramethyl-1,2,4,5,5a,7,8,9b-octahydrobenzo[e][1]benzofuran-9-one
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 580
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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