Leptocarpin acetate
HIT212677887
sdf文件结构编辑类似物检索
HIT ID: HIT212677887
Cas No: 73522-57-3
分子式: C22H28O7
分子量: 404.459
常用名: Leptocarpin acetate
氢键受体数 (HBA): 4
氢键供体数 (HBD): 0
LogP: 2.8478868
IUPAC: (1R,2R,4R,6R,8S,9Z,11R)-8-(acetyloxy)-4,9-dimethyl-14-methylidene-13-oxo-5,12-dioxatricyclo[9.3.0.0^{4,6}]tetradec-9-en-2-yl (2Z)-2-methylbut-2-enoate
IUPAC: (1R,2R,4R,6R,8S,9Z,11R)-8-(acetyloxy)-4,9-dimethyl-14-methylidene-13-oxo-5,12-dioxatricyclo[9.3.0.0^{4,6}]tetradec-9-en-2-yl (2Z)-2-methylbut-2-enoate
SMILES: [H][C@@]12C[C@H](OC(C)=O)\C(C)=C/[C@@]3([H])OC(=O)C(=C)[C@]3([H])[C@@H](C[C@@]1(C)O2)OC(=O)C(\C)=C/C |c:9|
SMILES: [H][C@@]12C[C@H](OC(C)=O)\C(C)=C/[C@@]3([H])OC(=O)C(=C)[C@]3([H])[C@@H](C[C@@]1(C)O2)OC(=O)C(\C)=C/C |c:9|
InChI key: FKBYLKGHMBGEOZ-GBCZEGOWSA-N
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