Name: Avermectin B1a
Rating: 5 (10 reviews)

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HIT ID:HIT212655971
Cas No:65195-55-3
常用名:Avermectin B1a
别名:阿维菌素 B1a, Avamectin B1a, Abamectin B1a
IUPAC:(10'E,14'E,16'E)-6-(butan-2-yl)-21',24'-dihydroxy-12'-({5-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-5,11',13',22'-tetramethyl-5,6-dihydro-3',7',19'-trioxaspiro[pyran-2,6'-tetracyclo[15.6.1.1^{4,8}.0^{20,24}]pentacosane]-10',14',16',22'-tetraen-2'-one
IUPAC:(10'E,14'E,16'E)-6-(butan-2-yl)-21',24'-dihydroxy-12'-({5-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-5,11',13',22'-tetramethyl-5,6-dihydro-3',7',19'-trioxaspiro[pyran-2,6'-tetracyclo[15.6.1.1^{4,8}.0^{20,24}]pentacosane]-10',14',16',22'-tetraen-2'-one
InChI key:RRZXIRBKKLTSOM-IQQVKNEDSA-N

分子式:C48H72O14
分子量:873.09
氢键供体数 (HBD):3
氢键受体数 (HBA):13
LogP:5.848433
SMILES:CCC(C)C1OC2(CC3CC(C\C=C(C)\C(OC4CC(OC)C(OC5CC(OC)C(O)C(C)O5)C(C)O4)C(C)\C=C\C=C4/COC5C(O)C(C)=CC(C(=O)O3)C45O)O2)C=CC1C |c:12,43,51,64,t:41|
SMILES:CCC(C)C1OC2(CC3CC(C\C=C(C)\C(OC4CC(OC)C(OC5CC(OC)C(O)C(C)O5)C(C)O4)C(C)\C=C\C=C4/COC5C(O)C(C)=CC(C(=O)O3)C45O)O2)C=CC1C |c:12,43,51,64,t:41|

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