Name: Milbemycin β3
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT219600326
Cas No:56198-39-1
常用名:Milbemycin β3
IUPAC:(1'S,2R,5S,6R,10'E,12'Z,14'R,16'E,19'R)-7'-hydroxy-5,6,6',10',14',16'-hexamethyl-2',20'-dioxaspiro[oxane-2,21'-tricyclo[17.3.1.0^{4,9}]tricosane]-4'(9'),5',7',10',12',16'-hexaen-3'-one
IUPAC:(1'S,2R,5S,6R,10'E,12'Z,14'R,16'E,19'R)-7'-hydroxy-5,6,6',10',14',16'-hexamethyl-2',20'-dioxaspiro[oxane-2,21'-tricyclo[17.3.1.0^{4,9}]tricosane]-4'(9'),5',7',10',12',16'-hexaen-3'-one
InChI key:PPMBESPRWFQXDF-ZUARBHEKSA-N

分子式:C31H42O5
分子量:494.672
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:C[C@H]1CC[C@]2(C[C@@H]3C[C@@H](C\C=C(C)\C[C@@H](C)\C=C/C=C(C)/c4cc(O)c(C)cc4C(=O)O3)O2)O[C@@H]1C
SMILES:C[C@H]1CC[C@]2(C[C@@H]3C[C@@H](C\C=C(C)\C[C@@H](C)\C=C/C=C(C)/c4cc(O)c(C)cc4C(=O)O3)O2)O[C@@H]1C

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