3H-Cyclopent(b)oxecin-2-one, 4,5,8,8a,9,10,11,11a-octahydro-10-hydroxy-9-(3-hydroxy-3-methyl-4-phenyl-1-butenyl)-
Basic information
- CAS
62411-09-0- Standard SMILES
CC(O)(/C=C/C1C(O)CC2OC(=O)CCC/C=C\C[C@@H]21)CCc1ccccc1- InChIKey
XAICCEOLLUPBCR-GHMZLPFGSA-N- Molecular formula
- C24H32O4
- Average molar mass
- 384.5 g/mol
- Monoisotopic mass
- 384.2300595
Names & identifiers
- Preferred name
- 3H-Cyclopent(b)oxecin-2-one, 4,5,8,8a,9,10,11,11a-octahydro-10-hydroxy-9-(3-hydroxy-3-methyl-4-phenyl-1-butenyl)-
- IUPAC
- (6Z,8aR)-10-hydroxy-9-[(E)-3-hydroxy-3-methyl-5-phenylpent-1-enyl]-4,5,8,8a,9,10,11,11a-octahydro-3H-cyclopenta[b]oxecin-2-one
Names & synonyms
(15S)-15-Methyl-17-phenyl-18,19,20-trinor-pgf2-alpha 1,9-lactone(15S)-15-Methyl-17-phenyl-18,19,20-trinor-prostaglandin F2-alpha 1,9-lactone3H-Cyclopent(b)oxecin-2-one, 4,5,8,8a,9,10,11,11a-octahydro-10-hydroxy-9-(3-hydroxy-3-methyl-4-phenyl-1-butenyl)-62411-09-0
Database identifiers
- CAS
62411-09-0- PubChem CID
- 6446548
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 563
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Compound notes
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