4-FPBUA
HIT218903714
sdf文件结构编辑类似物检索
HIT ID: HIT218903714
Cas No: 2089636-93-9
分子式: C31H23FO7
分子量: 526.516
常用名: 4-FPBUA
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2S)-4-acetyl-10-[(2E)-3-{4'-fluoro-[1,1'-biphenyl]-4-yl}prop-2-enoyl]-5,11,13-trihydroxy-2,12-dimethyl-8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(9),4,6,10,12-pentaen-3-one
IUPAC: (2S)-4-acetyl-10-[(2E)-3-{4'-fluoro-[1,1'-biphenyl]-4-yl}prop-2-enoyl]-5,11,13-trihydroxy-2,12-dimethyl-8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(9),4,6,10,12-pentaen-3-one
SMILES: CC(=O)C1=C(O)C=C2Oc3c(c(O)c(C)c(O)c3C(=O)\C=C\c3ccc(cc3)-c3ccc(F)cc3)[C@]2(C)C1=O
SMILES: CC(=O)C1=C(O)C=C2Oc3c(c(O)c(C)c(O)c3C(=O)\C=C\c3ccc(cc3)-c3ccc(F)cc3)[C@]2(C)C1=O
InChI key: XILWXBHQKYMLHY-JBYXOPKCSA-N
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