Name: 2-O-Acetyltutin
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT213884987
Cas No:2749-28-2
常用名:2-O-Acetyltutin
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
InChI key:UUEQFDNPPWQXQE-VKLNUZRBSA-N

分子式:C17H20O7
分子量:336.34
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
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|

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