Name: Milbemycin α13
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT219618989
Cas No:123123-62-6
常用名:Milbemycin α13
别名:Meilingmycin B
IUPAC:{21',24'-dihydroxy-5,6,11',13'-tetramethyl-2'-oxo-3',7',19'-trioxaspiro[oxane-2,6'-tetracyclo[15.6.1.1^{4,8}.0^{20,24}]pentacosane]-10',14',16',22'-tetraen-22'-yl}methyl 3-methylpent-2-enoate
IUPAC:{21',24'-dihydroxy-5,6,11',13'-tetramethyl-2'-oxo-3',7',19'-trioxaspiro[oxane-2,6'-tetracyclo[15.6.1.1^{4,8}.0^{20,24}]pentacosane]-10',14',16',22'-tetraen-22'-yl}methyl 3-methylpent-2-enoate
InChI key:InChIKey=HTXDSCXSHZEWMW-UHFFFAOYSA-N

分子式:C37H52O9
分子量:640.814
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CCC(C)=CC(=O)OCC1=CC2C(=O)OC3CC(CC=C(C)CC(C)C=CC=C4COC(C1O)C24O)OC1(CCC(C)C(C)O1)C3
SMILES:CCC(C)=CC(=O)OCC1=CC2C(=O)OC3CC(CC=C(C)CC(C)C=CC=C4COC(C1O)C24O)OC1(CCC(C)C(C)O1)C3

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