Junceellin
HIT212716561
sdf文件结构编辑类似物检索
HIT ID: HIT212716561
Cas No: 92508-09-3
分子式: C28H35ClO11
分子量: 583.03
常用名: Junceellin
氢键受体数 (HBA): 6
氢键供体数 (HBD): 0
LogP: 1.9178592
IUPAC: (1R,2S,3S,7S,8R,9R,10S,11S,13S,14R,17R)-7,9,10-tris(acetyloxy)-13-chloro-8,17-dimethyl-4,12-dimethylidene-16-oxo-15,18-dioxatetracyclo[9.6.1.0^{1,14}.0^{3,8}]octadecan-2-yl acetate
IUPAC: (1R,2S,3S,7S,8R,9R,10S,11S,13S,14R,17R)-7,9,10-tris(acetyloxy)-13-chloro-8,17-dimethyl-4,12-dimethylidene-16-oxo-15,18-dioxatetracyclo[9.6.1.0^{1,14}.0^{3,8}]octadecan-2-yl acetate
SMILES: [H][C@@]12OC(=O)[C@H](C)[C@]11O[C@]([H])([C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]3(C)[C@H](CCC(=C)[C@]3([H])[C@@H]1OC(C)=O)OC(C)=O)C(=C)[C@@H]2Cl
SMILES: [H][C@@]12OC(=O)[C@H](C)[C@]11O[C@]([H])([C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]3(C)[C@H](CCC(=C)[C@]3([H])[C@@H]1OC(C)=O)OC(C)=O)C(=C)[C@@H]2Cl
InChI key: PXWWTSQKNXBHTK-VQNAIMPISA-N
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