Methyl (E)-3-((1S,3R)-3-((3-((2S,3S)-2-hydroxy-3-methoxypent-4-enyl)-2-methyl-4-oxo-1-cyclopent-2-enyl)oxycarbonyl)-2,2-dimethyl-cyclopropyl)-2-methylprop-2-enoate
Basic information
- CAS
131484-71-4- Standard SMILES
C=C[C@H](OC)[C@@H](O)CC1=C(C)C(OC(=O)[C@@H]2[C@@H](/C=C(\C)C(=O)OC)C2(C)C)CC1=O- InChIKey
PBEGFEZPDVLLBH-YTDVIYOPSA-N- Molecular formula
- C23H32O7
- Average molar mass
- 420.5 g/mol
- Monoisotopic mass
- 420.21480336
Names & identifiers
- Preferred name
- Methyl (E)-3-((1S,3R)-3-((3-((2S,3S)-2-hydroxy-3-methoxypent-4-enyl)-2-methyl-4-oxo-1-cyclopent-2-enyl)oxycarbonyl)-2,2-dimethyl-cyclopropyl)-2-methylprop-2-enoate
- IUPAC
- cis-[3-[(2S,3S)-2-hydroxy-3-methoxypent-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
131484-71-4Methyl (E)-3-((1S,3R)-3-((3-((2S,3S)-2-hydroxy-3-methoxypent-4-enyl)-2-methyl-4-oxo-1-cyclopent-2-enyl)oxycarbonyl)-2,2-dimethyl-cyclopropyl)-2-methylprop-2-enoate
Database identifiers
- CAS
131484-71-4- PubChem CID
- 6442767
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 99.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 789
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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