1(4H)-Naphthalenone, 4-[2-(3-furanyl)ethyl]-4a,5,6,7,8,8a-hexahydro-4-hydroxy-3,4a,8,8-tetramethyl-
基本情報
- CAS
23534-56-7- 標準SMILES
CC1=CC(=O)C2C(C)(C)CCCC2(C)C1(O)CCc1ccoc1- InChIKey
XDYGCIOWNPNVIH-UHFFFAOYSA-N- 分子式
- C20H28O3
- 平均分子量
- 316.4 g/mol
- 単同位体質量
- 316.20384475
概要
1(4H)-Naphthalenone, 4-[2-(3-furanyl)ethyl]-4a,5,6,7,8,8a-hexahydro-4-hydroxy-3,4a,8,8-tetramethyl- has been reported in Solidago sempervirens with data available.
名称と識別子
- 優先名称
- 1(4H)-Naphthalenone, 4-[2-(3-furanyl)ethyl]-4a,5,6,7,8,8a-hexahydro-4-hydroxy-3,4a,8,8-tetramethyl-
- IUPAC
- 4-[2-(furan-3-yl)ethyl]-4-hydroxy-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydronaphthalen-1-one
名称と別名
4-[2-(furan-3-yl)ethyl]-4-hydroxy-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydronaphthalen-1-one1(4H)-Naphthalenone, 4-[2-(3-furanyl)ethyl]-4a,5,6,7,8,8a-hexahydro-4-hydroxy-3,4a,8,8-tetramethyl-CTK4F1737DTXSID80946295XDYGCIOWNPNVIH-UHFFFAOYSA-NNSC171083NSC-1710831(4H)-Naphthalenone,4-[2-(3-furanyl)ethyl]-4a,5,6,7,8,8a-hexahydro-4-hydroxy-3,4a,8,8-tetramethyl-,(4R,4aS,8aS)-4-[2-(3-Furyl)ethyl]-4-hydroxy-3,4a,8,8-tetramethyl-4a,5,6,7,8,8a-hexahydro-1(4H)-naphthalenone #4-[2-(Furan-3-yl)ethyl]-4-hydroxy-3,4a,8,8-tetramethyl-4a,5,6,7,8,8a-hexahydronaphthalen-1(4H)-one
データベース識別子
- CAS
23534-56-7- PubChem CID
- 298767
- DTXSID
DTXSID80946295- Nikkaji
- J129.765A
物性
構造計算による物性
- XLogP
- 3.6
- 極性表面積
- 50.4 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 3
- 回転可能結合数
- 3
- 重原子数
- 23
- 形式電荷
- 0
- 複雑度
- 521
関連反応
0 件
現在のフィルター条件では反応記録がありません。
化合物ノート
読み込み中…