Name: Milbemycin β1
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT219600340
Cas No:51596-16-8
常用名:Milbemycin β1
IUPAC:(1'S,2R,4'R,5S,6R,7'S,9'S,10'E,12'Z,14'R,16'E,19'R)-9'-hydroxy-10'-(hydroxymethyl)-7'-methoxy-5,6,6',14',16'-pentamethyl-2',20'-dioxaspiro[oxane-2,21'-tricyclo[17.3.1.0^{4,9}]tricosane]-5',10',12',16'-tetraen-3'-one
IUPAC:(1'S,2R,4'R,5S,6R,7'S,9'S,10'E,12'Z,14'R,16'E,19'R)-9'-hydroxy-10'-(hydroxymethyl)-7'-methoxy-5,6,6',14',16'-pentamethyl-2',20'-dioxaspiro[oxane-2,21'-tricyclo[17.3.1.0^{4,9}]tricosane]-5',10',12',16'-tetraen-3'-one
InChI key:GVTIOOAINDAZRR-DIXJRYMISA-N

分子式:C32H48O7
分子量:544.729
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CO[C@H]1C[C@]2(O)[C@@H](C=C1C)C(=O)O[C@H]1C[C@@H](C\C=C(C)\C[C@@H](C)\C=C/C=C2\CO)O[C@@]2(CC[C@H](C)[C@@H](C)O2)C1
SMILES:CO[C@H]1C[C@]2(O)[C@@H](C=C1C)C(=O)O[C@H]1C[C@@H](C\C=C(C)\C[C@@H](C)\C=C/C=C2\CO)O[C@@]2(CC[C@H](C)[C@@H](C)O2)C1

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