alpha-D-Glucopyranoside, (4R,5R,6R,6aS,9R,10aR)-1,2,4,5,6,6a,7,8,9,10a-decahydro-5,9-dihydroxy-9-(methoxymethyl)-6,10a-dimethyl-3-(1-methylethyl)dicyclopenta(a,d)cycloocten-4-yl 3,4-O-((1R,2S)-2-hydroxy-1-(hydroxymethyl)-1-methyl-1,3-propanediyl)-6-O-methyl-
基本情報
- CAS
58037-94-8- 標準SMILES
COC[C@H]1O[C@H](O[C@@H]2C3=C(C(C)C)CC[C@]3(C)/C=C3\[C@@H](CC[C@]3(O)COC)[C@@H](C)[C@H]2O)[C@H](O)[C@H]2OC[C@H](O)[C@@](C)(CO)O[C@@H]21- InChIKey
PIBBQDGAKBHZCF-RTZQVEJRSA-N- 分子式
- C33H54O11
- 平均分子量
- 626.8 g/mol
- 単同位体質量
- 626.36661253
名称と識別子
- 優先名称
- alpha-D-Glucopyranoside, (4R,5R,6R,6aS,9R,10aR)-1,2,4,5,6,6a,7,8,9,10a-decahydro-5,9-dihydroxy-9-(methoxymethyl)-6,10a-dimethyl-3-(1-methylethyl)dicyclopenta(a,d)cycloocten-4-yl 3,4-O-((1R,2S)-2-hydroxy-1-(hydroxymethyl)-1-methyl-1,3-propanediyl)-6-O-methyl-
- IUPAC
- (3S,4R,5aR,6R,8S,9R,9aR)-8-[[(1E,3R,8R,9R,10R,11S,14R)-9,14-dihydroxy-14-(methoxymethyl)-3,10-dimethyl-6-propan-2-yl-8-tricyclo[9.3.0.03,7]tetradeca-1,6-dienyl]oxy]-4-(hydroxymethyl)-6-(methoxymethyl)-4-methyl-3,5a,6,8,9,9a-hexahydro-2H-pyrano[3,4-b][1,4]dioxepine-3,9-diol
名称と別名
58037-94-8alpha-D-Glucopyranoside, (4R,5R,6R,6aS,9R,10aR)-1,2,4,5,6,6a,7,8,9,10a-decahydro-5,9-dihydroxy-9-(methoxymethyl)-6,10a-dimethyl-3-(1-methylethyl)dicyclopenta(a,d)cycloocten-4-yl 3,4-O-((1R,2S)-2-hydroxy-1-(hydroxymethyl)-1-methyl-1,3-propanediyl)-6-O-methyl-Cotylenin GDTXSID601338254.alpha.-D-Glucopyranoside, (4R,5R,6R,6aS,9R,10aR)-1,2,4,5,6,6a,7,8,9,10a-decahydro-5,9-dihydroxy-9-(methoxymethyl)-6,10a-dimethyl-3-(1-methylethyl)dicyclopenta[a,d]cycloocten-4-yl 3,4-O-[(1R,2S)-2-hydroxy-1-(hydroxymethyl)-1-methyl-1,3-propanediyl]-6-O-methyl-
データベース識別子
- CAS
58037-94-8- PubChem CID
- 101286245
- DTXSID
DTXSID601338254
物性
構造計算による物性
- XLogP
- 0.1
- 極性表面積
- 157 Ų
- 水素結合供与体数
- 5
- 水素結合受容体数
- 11
- 回転可能結合数
- 8
- 重原子数
- 44
- 形式電荷
- 0
- 複雑度
- 1,090
関連反応
0 件
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化合物ノート
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