PSF-A
HIT106012527
sdf文件结构编辑类似物检索
HIT ID: HIT106012527
Cas No:
分子式: C23H28O10
分子量: 464.467
常用名: PSF-A
氢键受体数 (HBA): 10
氢键供体数 (HBD): 0
LogP: 1.61
IUPAC: methyl (1S,2S,4R,7E,9S,10S,11R)-9-(acetyloxy)-10-(2,3-dimethyloxirane-2-carbonyloxy)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.0^{2,4}]tetradec-7-ene-8-carboxylate
IUPAC: methyl (1S,2S,4R,7E,9S,10S,11R)-9-(acetyloxy)-10-(2,3-dimethyloxirane-2-carbonyloxy)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.0^{2,4}]tetradec-7-ene-8-carboxylate
SMILES: COC(=O)C1=C/CC[C@@]2(C)O[C@H]2[C@H]2OC(=O)C(=C)[C@@H]2[C@H](OC(=O)C2(C)OC2C)[C@H]\1OC(C)=O |t:4|
SMILES: COC(=O)C1=C/CC[C@@]2(C)O[C@H]2[C@H]2OC(=O)C(=C)[C@@H]2[C@H](OC(=O)C2(C)OC2C)[C@H]\1OC(C)=O |t:4|
InChI key: VCBNPTWPJQLHQN-WJJIXFIJSA-N
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