基本情報
- CAS
23515-88-0- 標準SMILES
CC1=C[C@H]2[C@@H](CC1)C(C)=CC[C@H]2C(C)C- InChIKey
QMAYBMKBYCGXDH-SOUVJXGZSA-N- 分子式
- C15H24
- 平均分子量
- 204.35 g/mol
概要
(-)-alpha-amorphene is a member of the cadinene family of sesquiterpenes having a 4,7-dimethyl-1-(propan-2-yl)-1,2,4a,5,6,8a-hexahydronaphthalene skeleton with 1S,4aR,8aS-stereochemistry. It is isolated from the essential oils of several plant species. It has a role as a plant metabolite. It is a cadinene and a polycyclic olefin.
名称と識別子
- 優先名称
- (-)-alpha-Amorphene
- IUPAC
- (1S,4aR,8aS)-4,7-dimethyl-1-propan-2-yl-1,2,4a,5,6,8a-hexahydronaphthalene
- 現地名
- [1S,(-)]-1,2,4aβ,5,6,8aβ-ヘキサヒドロ-4,7-ジメチル-1α-(1-メチルエチル)ナフタレン
- 英語名
- 1α-Isopropyl-4,7-dimethyl-1,2,4aβ,5,6,8aβ-hexahydronaphthalene
- 分子式
- C15H24
- 分子量
- 204.35
名称と別名
(-)-alpha-amorphene(1S,4aR,8aS)-4,7-dimethyl-1-(propan-2-yl)-1,2,4a,5,6,8a-hexahydronaphthaleneCHEBI:137533(1S,4aR,8aS)-4,7-dimethyl-1-propan-2-yl-1,2,4a,5,6,8a-hexahydronaphthaleneRefChem:67688.alpha.-Cadinene(-)-.alpha.-Cadinene.alpha.-Cadinene, (-)-SCHEMBL17627706Cadina-4,9-diene-, (-)-(1S,4aR,8aR)-1-Isopropyl-4,7-dimethyl-1,2,4a,5,6,8a-hexahydronaphthaleneQMAYBMKBYCGXDH-SOUVJXGZSA-N
名称をさらに表示
1α-イソプロピル-4,7-ジメチル-1,2,4aβ,5,6,8aβ-ヘキサヒドロナフタレン(-)-α-アモルフェン[1S,(-)]-1,2,4aβ,5,6,8aβ-ヘキサヒドロ-4,7-ジメチル-1α-(1-メチルエチル)ナフタレン(1S,4aR,8aS)-4,7-ジメチル-1-(プロパン-2-イル)-1,2,4a,5,6,8a-ヘキサヒドロナフタレン(-)-α-Amorphene1α-Isopropyl-4,7-dimethyl-1,2,4aβ,5,6,8aβ-hexahydronaphthalene[1S,(-)]-1,2,4aβ,5,6,8aβ-Hexahydro-4,7-dimethyl-1α-(1-methylethyl)naphthaleneNaphthalene, 1,2,4a,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, (1S,4aR,8aS)-
Naphthalene, 1,2,4a,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, [1S-(1.alpha.,4a.beta.,8a.alpha.)]-6-alpha-cadina-4,9-diene, (-)-C21679[1s-(1a,4ab,8aa)]-1,2,4a,5,6,8a-Hexahydro-4,7-dimethyl-1-(1methylethyl)-naphthaleneNaphthalene, 1,2,4a,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, (1S,4aR,8aR)-
物性
構造計算による物性
- XLogP
- 4.1
- 極性表面積
- 0 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 0
- 回転可能結合数
- 1
- 重原子数
- 15
- 形式電荷
- 0
- 複雑度
- 293
物理化学的性質
- 沸点
- 271.5 · 271.5±30.0 °C(Predicted)
- 比重(密度)
- 0.876 · 0.876±0.06 g/cm3(Predicted)
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
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