(4R,6R)-6-{2-[(1S,2S,6S,8S,8aR)-1,2,6,7,8,8a-Hexahydro-6-t-butyldimethylsilyloxy-8-(2-allyl-2-ethyl-4-pentenoyloxy)-2-methyl-1-naphthyl]ethyl}tetrahydro-4-t-butyldimethylsilyloxy-2H-pyran-2-one (HCID 22856159)

基本情報

標準SMILES: C=CCC(CC)(CC=C)C(=O)O[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O[Si](C)(C)C(C)(C)C)CC(=O)O3)[C@H]21
InChIKey: YTSIAGXFCKDNBL-XGHYWWOHSA-N
分子式: C40H68O6Si2
平均分子量: 701.1 g/mol
単同位体質量: 700.45544295

名称と識別子

優先名称: (4R,6R)-6-{2-[(1S,2S,6S,8S,8aR)-1,2,6,7,8,8a-Hexahydro-6-t-butyldimethylsilyloxy-8-(2-allyl-2-ethyl-4-pentenoyloxy)-2-methyl-1-naphthyl]ethyl}tetrahydro-4-t-butyldimethylsilyloxy-2H-pyran-2-one
IUPAC: [(1S,3S,7S,8S,8aR)-3-[tert-butyl(dimethyl)silyl]oxy-8-[2-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxan-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2-ethyl-2-prop-2-enylpent-4-enoate

名称と別名

SCHEMBL8610991YTSIAGXFCKDNBL-XGHYWWOHSA-N(4R,6R)-6-{2-[(1S,2S,6S,8S,8aR)-1,2,6,7,8,8a-Hexahydro-6-t-butyldimethylsilyloxy-8-(2-allyl-2-ethyl-4-pentenoyloxy)-2-methyl-1-naphthyl]ethyl}tetrahydro-4-t-butyldimethylsilyloxy-2H-pyran-2-one(4R,6R)-6-{2-[(1S.2S,6S,8S,8aR)-1,2,6,7,8,8a-Hexahydro-6-t-butyldimethylsilyloxy-8-(2-allyl-2-ethyl-4-pentenoyloxy)-2-methyl-1-naphthyl]ethyl}tetrahydro-4-t-butyldimethylsilyloxy-2H-pyran-2-one

データベース識別子

PubChem CID: 22856159

物性

構造計算による物性

極性表面積: 71.1 Å²
水素結合供与体数: 0
水素結合受容体数: 6
回転可能結合数: 17
重原子数: 48
形式電荷: 0
複雑度: 1,210

化合物ノート

読み込み中…