HIT ID: HIT104561712
Cas No:
分子式: C30H40N2O8
分子量: 556.656
常用名: N'-Phenacylpiperazineinnuchenenolide C
常用名: N'-Phenacylpiperazineinnuchenenolide C
氢键受体数 (HBA): 10
氢键供体数 (HBD): 1
LogP: 0.24
IUPAC: (3aS,4aR,5S)-5-(acetyloxy)-3-[(4-benzoylpiperazin-1-yl)methyl]-4-hydroxy-4a,8-dimethyl-2-oxo-dodecahydroazuleno[6,5-b]furan-7-yl acetate
IUPAC: (3aS,4aR,5S)-5-(acetyloxy)-3-[(4-benzoylpiperazin-1-yl)methyl]-4-hydroxy-4a,8-dimethyl-2-oxo-dodecahydroazuleno[6,5-b]furan-7-yl acetate
SMILES: CC1CC2OC(=O)C(CN3CCN(CC3)C(=O)c3ccccc3)[C@H]2C(O)[C@]2(C)[C@H](CC(OC(C)=O)C12)OC(C)=O
SMILES: CC1CC2OC(=O)C(CN3CCN(CC3)C(=O)c3ccccc3)[C@H]2C(O)[C@]2(C)[C@H](CC(OC(C)=O)C12)OC(C)=O
InChI key: OODLPYNTTOEQHX-FNDKLUPDSA-N
