Basic information
- Standard SMILES
CC(=O)O[C@@H]1c2occ(C)c2[C@@H]2OC(=O)[C@@]3(CC[C@H]4O[C@]14C)O[C@@H]23- InChIKey
KYKVYJIXFWNHTF-XHGKESRTSA-N- Molecular formula
- C17H18O7
- Average molar mass
- 334.3 g/mol
- Monoisotopic mass
- 334.10525292
Names & identifiers
- Preferred name
- [(1S,4R,6S,7R,13S,14S)-6,11-dimethyl-16-oxo-5,9,15,17-tetraoxapentacyclo[11.2.2.01,14.04,6.08,12]heptadeca-8(12),10-dien-7-yl] acetate
- IUPAC
- [(1S,4R,6S,7R,13S,14S)-6,11-dimethyl-16-oxo-5,9,15,17-tetraoxapentacyclo[11.2.2.01,14.04,6.08,12]heptadeca-8(12),10-dien-7-yl] acetate
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 90.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 620
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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