17-Phenyl-18,19,20-trinor-pge2 1,15-lactone
Basic information
- CAS
62411-16-9- Standard SMILES
O=C1CCC/C=C\C[C@H]2C(=O)C[C@@H](O)[C@@H]2/C=C\[C@H](CCc2ccccc2)O1- InChIKey
WWHYWVRAJPRWHZ-LQEZQQJMSA-N- Molecular formula
- C23H28O4
- Average molar mass
- 368.5 g/mol
- Monoisotopic mass
- 368.19875937
Names & identifiers
- Preferred name
- 17-Phenyl-18,19,20-trinor-pge2 1,15-lactone
- IUPAC
- (1R,2Z,4S,10Z,13R,16R)-16-hydroxy-4-(2-phenylethyl)-5-oxabicyclo[11.3.0]hexadeca-2,10-diene-6,14-dione
Names & synonyms
17-Phenyl-18,19,20-trinor-pge2 1,15-lactone17-Phenyl-18,19,20-trinor-prostaglandin E2 1,15-lactone3H-Cyclopent(e)oxacyclotridecin-5,12-dione, 6,7,8,11,11a,13,14,14a-octahydro-14-hydroxy-3-(2-phenylethyl)-, (3S-(1E,3R*,8Z,11aS*,14S*,14aS*))-62411-16-9
Database identifiers
- CAS
62411-16-9- PubChem CID
- 6446550
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 559
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…