CID 126456000

HCID 178828344CAS 123997-64-8

基本情報

標準SMILES: CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)C34O)O2
InChIKey: IDRWWNAYSYRQBV-RANFAGGCSA-N
分子式: C41H62O11
平均分子量: 730.9 g/mol

名称と識別子

優先名称: CID 126456000
IUPAC: (1R,4S,5'S,6R,6'R,8R,10E,12S,13S,14E,16E,20R,21R)-6'-[(2S)-butan-2-yl]-21,24-dihydroxy-12-[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one
英語名: :Ivermectin B1a monosaccharide
分子式: C41H62O11
分子量: 730.92438

名称と別名

Ivermectin monosaccharide123997-64-8(1R,4S,5'S,6R,6'R,8R,10E,12S,13S,14E,16E,20R,21R)-6'-[(2S)-butan-2-yl]-21,24-dihydroxy-12-[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-oneIvermectin B1a monosaccharideIvermectin impurity 17Ivermectin Impurity 17 (IverMectin B1 Monosaccharide)DihydroaverMectin B1 Monosaccharide, IverMectin B1 Monosaccharide

データベース識別子

CAS: 123997-64-8

物性

構造計算による物性

XLogP: 3.7
極性表面積: 142 Å²
水素結合供与体数: 3
水素結合受容体数: 11
回転可能結合数: 5
重原子数: 52
形式電荷: 0
複雑度: 1,410

化学と産業

応用分野 · 1 件

使用:Ivermectin B1a monosaccharide is a semi-synthetic produced by selective hydrolysis of the terminal saccharide unit of ivermectin. Ivermectin monosaccharide is a potent inhibitor of nematode larval development, but is devoid of paralytic activity. The monosaccharide is used as a sensitive probe for the detection of some types of ivermectin resistance.

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