(3S,4aR,4bS,6S,8R,8aR,10aR)-3-Furan-3-yl-4a,8a-dimethyl-1,5-dioxo-6-trimethylsilanyloxy-dodecahydro-2-oxa-phenanthrene-8-carboxylic acid methyl ester (HCID 11167140)

基本情報

標準SMILES: COC(=O)[C@@H]1C[C@H](O[Si](C)(C)C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C
InChIKey: BWXMOBMYRUQCGA-WFOQEEKOSA-N
分子式: C24H34O7Si
平均分子量: 462.6 g/mol

名称と識別子

優先名称: (3S,4aR,4bS,6S,8R,8aR,10aR)-3-Furan-3-yl-4a,8a-dimethyl-1,5-dioxo-6-trimethylsilanyloxy-dodecahydro-2-oxa-phenanthrene-8-carboxylic acid methyl ester
IUPAC: methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-2-(furan-3-yl)-6a,10b-dimethyl-4,10-dioxo-9-trimethylsilyloxy-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylate

名称と別名

CHEMBL427337SCHEMBL3539450BWXMOBMYRUQCGA-WFOQEEKOSA-NBDBM50170677(2S,4aR,6aR,7R,9S,10aS,10bR)-9-(trimethylsilanyloxy)-2-(3-furanyl)-dodecahydro-6a,10b-dimethyl-4,10-dioxo-2H-naphtho[2,1-c]pyran-7-carboxylic acid methyl ester(3S,4aR,4bS,6S,8R,8aR,10aR)-3-Furan-3-yl-4a,8a-dimethyl-1,5-dioxo-6-trimethylsilanyloxy-dodecahydro-2-oxa-phenanthrene-8-carboxylic acid methyl ester

データベース識別子

PubChem CID: 11167140
ChEMBL: CHEMBL427337

物性

構造計算による物性

極性表面積: 92 Å²
水素結合供与体数: 0
水素結合受容体数: 7
回転可能結合数: 5
重原子数: 32
形式電荷: 0
複雑度: 792

化合物ノート

読み込み中…