基本情報
- CAS
52617-32-0- 標準SMILES
C=C(C)CCC(CC12CC(CC=C(C)C)C(C)(C)C(CC=C(C)C)(C(=O)/C(=C(\O)c3ccc(O)c(O)c3)C1=O)C2=O)C(=C)C- InChIKey
TZZQZCIACNYHBG-MVJHLKBCSA-N- 分子式
- C38H50O6
- 平均分子量
- 602.8 g/mol
- 単同位体質量
- 602.36073931
概要
See also: (+)-Xanthochymol (annotation moved to); Guttiferone E (annotation moved to).
名称と識別子
- 優先名称
- (3Z)-3-[(3,4-dihydroxyphenyl)-hydroxymethylidene]-6,6-dimethyl-5,7-bis(3-methylbut-2-enyl)-1-(5-methyl-2-prop-1-en-2-ylhex-5-enyl)bicyclo[3.3.1]nonane-2,4,9-trione
- IUPAC
- (3Z)-3-[(3,4-dihydroxyphenyl)-hydroxymethylidene]-6,6-dimethyl-5,7-bis(3-methylbut-2-enyl)-1-(5-methyl-2-prop-1-en-2-ylhex-5-enyl)bicyclo[3.3.1]nonane-2,4,9-trione
名称と別名
Xanthochymol52617-32-0NSC 247527(3Z)-3-[(3,4-dihydroxyphenyl)-hydroxymethylidene]-6,6-dimethyl-5,7-bis(3-methylbut-2-enyl)-1-(5-methyl-2-prop-1-en-2-ylhex-5-enyl)bicyclo[3.3.1]nonane-2,4,9-trioneDTXSID90967052NSC247527NSC-2475273-(3,4-Dihydroxybenzoyl)-4-hydroxy-8,8-dimethyl-1,7-bis(3-methylbut-2-en-1-yl)-5-[5-methyl-2-(prop-1-en-2-yl)hex-5-en-1-yl]bicyclo[3.3.1]non-3-ene-2,9-dioneBicyclo(3.3.1)non-3-ene-2,9-dione, 3-(3,4-dihydroxybenzoyl)-4-hydroxy-8,8-dimethyl-1,7-bis(3-methyl-2-butenyl)-5-(5-methyl-2-(1-methylethenyl)-5-hexenyl)-, (1S-(1alpha,5alpha,5(S*),7beta))-Bicyclo[3.3.1]non-3-ene-2, 3-(3,4-dihydroxybenzoyl)-4-hydroxy-8,8-dimethyl-1,7-bis(3-methyl-2-butenyl)-5-[5-methyl-2-(1-methylethenyl)-5-hexenyl]-, [1S-[1.alpha.,5.alpha.,5(S*),7.beta.]]-
データベース識別子
- CAS
52617-32-0- PubChem CID
- 5476629
- DTXSID
DTXSID90967052
物性
構造計算による物性
- XLogP
- 10.6
- 極性表面積
- 112 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 6
- 回転可能結合数
- 11
- 重原子数
- 44
- 形式電荷
- 0
- 複雑度
- 1,290
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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