(3S,8S,9S,10R,13S,14S,17S)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3-[(1,1-dimethylethyl)dimethylsilyloxy]-17-((S)-2-hydroxy-6-methylhept-6-en-2-yl)-10,13-dimethyl-1H-cyclopenta[a]phenanthrene (HCID 66899745)

基本情報

標準SMILES: C=C(C)CCC[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C
InChIKey: JFYSOKLNZKJTPB-KGQPXBGFSA-N
分子式: C33H58O2Si
平均分子量: 514.9 g/mol
単同位体質量: 514.42060762

名称と識別子

優先名称: (3S,8S,9S,10R,13S,14S,17S)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3-[(1,1-dimethylethyl)dimethylsilyloxy]-17-((S)-2-hydroxy-6-methylhept-6-en-2-yl)-10,13-dimethyl-1H-cyclopenta[a]phenanthrene
IUPAC: (2S)-2-[(3S,8S,9S,10R,13S,14S,17S)-3-[tert-butyl(dimethyl)silyl]oxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-6-en-2-ol

名称と別名

SCHEMBL1081429JFYSOKLNZKJTPB-KGQPXBGFSA-N(3S,8S,9S,10R,13S,14S,17S)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3-[(1,1-dimethylethyl)dimethylsilyloxy]-17-((S)-2-hydroxy-6-methylhept-6-en-2-yl) -10,13-dimethyl-1H-cyclopenta[alpha]phenanthrene(3S,8S,9S,10R,13S,14S,17S)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3-[(1,1-dimethylethyl)dimethylsilyloxy]-17-((S)-2-hydroxy-6-methylhept-6-en-2-yl)-10,13-dimethyl-1H-cyclopenta[a]phenanthrene

データベース識別子

PubChem CID: 66899745

物性

構造計算による物性

極性表面積: 29.5 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 8
重原子数: 36
形式電荷: 0
複雑度: 867

化合物ノート

読み込み中…