2-O-Acetyltutin
HIT213884987
sdf文件结构编辑类似物检索
HIT ID: HIT213884987
Cas No: 2749-28-2
分子式: C17H20O7
分子量: 336.34
常用名: 2-O-Acetyltutin
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1'S,2R,2'R,3'S,5'R,7'R,8'S,9'R,12'R)-2'-hydroxy-7'-methyl-11'-oxo-12'-(prop-1-en-2-yl)-4',10'-dioxaspiro[oxirane-2,6'-tetracyclo[7.2.1.0^{2,7}.0^{3,5}]dodecan]-8'-yl acetate
IUPAC: (1'S,2R,2'R,3'S,5'R,7'R,8'S,9'R,12'R)-2'-hydroxy-7'-methyl-11'-oxo-12'-(prop-1-en-2-yl)-4',10'-dioxaspiro[oxirane-2,6'-tetracyclo[7.2.1.0^{2,7}.0^{3,5}]dodecan]-8'-yl acetate
SMILES: CC(=O)O[C@@H]1[C@@H]2OC(=O)[C@@H]([C@@H]2C(C)=C)[C@]2(O)[C@H]3O[C@H]3[C@]3(CO3)[C@]12C |TLB:3:4:6.7:10,23:22:6.7:10,THB:15:14:6.7:10,16:14:6.7:10|
SMILES: CC(=O)O[C@@H]1[C@@H]2OC(=O)[C@@H]([C@@H]2C(C)=C)[C@]2(O)[C@H]3O[C@H]3[C@]3(CO3)[C@]12C |TLB:3:4:6.7:10,23:22:6.7:10,THB:15:14:6.7:10,16:14:6.7:10|
InChI key: UUEQFDNPPWQXQE-VKLNUZRBSA-N
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