Basic information
- Standard SMILES
C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@@]1(CC[C@H](O)C(C)(C)[C@H]1CO)COC3=O- InChIKey
BBTJIIHQEYXNCL-OAAASAAISA-N- Molecular formula
- C20H28O5
- Average molar mass
- 348.4 g/mol
- Monoisotopic mass
- 348.193674
Names & identifiers
- Preferred name
- (1S,2'S,4'S,5R,6S,9R)-4'-hydroxy-2'-(hydroxymethyl)-3',3'-dimethyl-10-methylidenespiro[3-oxatricyclo[7.2.1.01,6]dodecane-5,1'-cyclohexane]-2,11-dione
- IUPAC
- (1S,2'S,4'S,5R,6S,9R)-4'-hydroxy-2'-(hydroxymethyl)-3',3'-dimethyl-10-methylidenespiro[3-oxatricyclo[7.2.1.01,6]dodecane-5,1'-cyclohexane]-2,11-dione
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 83.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 652
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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