HIT ID: HIT212730050
Cas No: 26198-80-1
分子式: C22H36O5
分子量: 380.525
常用名: 1a,1b-dihomo Prostaglandin E2
氢键受体数 (HBA): 5
氢键供体数 (HBD): 3
LogP: 4.1144075
IUPAC: (7Z)-9-[(1R,2R,3R)-3-hydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-5-oxocyclopentyl]non-7-enoic acid
IUPAC: (7Z)-9-[(1R,2R,3R)-3-hydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-5-oxocyclopentyl]non-7-enoic acid
SMILES: CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCCCC(O)=O
SMILES: CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCCCC(O)=O
InChI key: PNKJEXAWAIJTRO-QKIVIXBWSA-N
