Cyclopropanecarboxylic acid, 3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-, 3-(2,3-dihydroxy-4-pentenyl)-2-methyl-4-oxo-2-cyclopenten-1-yl ester, (1R-(1alpha(S*(2R*,3R*)),3beta(E)))-
Basic information
- CAS
131486-45-8- Standard SMILES
C=CC(O)[C@H](O)CC1=C(C)[C@@H](OC(=O)[C@@H]2[C@@H](/C=C(\C)C(=O)OC)C2(C)C)CC1=O- InChIKey
QTNCZIQOZSHEMZ-AIDFWREASA-N- Molecular formula
- C22H30O7
- Average molar mass
- 406.5 g/mol
- Monoisotopic mass
- 406.19915329
Names & identifiers
- Preferred name
- Cyclopropanecarboxylic acid, 3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-, 3-(2,3-dihydroxy-4-pentenyl)-2-methyl-4-oxo-2-cyclopenten-1-yl ester, (1R-(1alpha(S*(2R*,3R*)),3beta(E)))-
- IUPAC
- cis-[(1S)-3-[(2R)-2,3-dihydroxypent-4-enyl]-2-methyl-4-oxocyclopent-2-en-1-yl] (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate
Names & synonyms
131486-45-8Cyclopropanecarboxylic acid, 3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-, 3-(2,3-dihydroxy-4-pentenyl)-2-methyl-4-oxo-2-cyclopenten-1-yl ester, (1R-(1alpha(S*(2R*,3R*)),3beta(E)))-
Database identifiers
- CAS
131486-45-8- PubChem CID
- 6442772
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 774
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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