基本情報
- CAS
1401-54-3- 標準SMILES
C=C1C(=O)O[C@H]2[C@H]1CC[C@@]1(C)[C@H](O)CCC(=C)[C@]21O- InChIKey
CFUWPZZLCJXNSQ-XXUMUBMXSA-N- 分子式
- C15H20O4
- 平均分子量
- 264.32 g/mol
- 単同位体質量
- 264.13615911
概要
Tanacetin is a sesquiterpene lactone.
名称と識別子
- 優先名称
- (3aS,5aS,6R,9aR,9bS)-Decahydro-6,9a-dihydroxy-5a-methyl-3,9-bis(methylene)naphtho(1,2-b)furan-2(3H)-one
- IUPAC
- (3aS,5aS,6R,9aR,9bS)-6,9a-dihydroxy-5a-methyl-3,9-dimethylidene-4,5,6,7,8,9b-hexahydro-3aH-benzo[g][1]benzofuran-2-one
名称と別名
Tanacetin1401-54-33JZ8COC2DKNaphtho(1,2-b)furan-2(3H)-one, decahydro-6,9a-dihydroxy-5a-methyl-3,9-bis(methylene)-, (3aS,5aS,6R,9aR,9bS)-DTXSID201112028Naphtho(1,2-b)furan-2(3H)-one, decahydro-6,9a-dihydroxy-5a-methyl-3,9-bis(methylene)-, (3as-(3aalpha,5abeta,6beta,9aalpha,9bbeta))-(3aS,5aS,6R,9aR,9bS)-6,9a-dihydroxy-5a-methyl-3,9-dimethylidene-4,5,6,7,8,9b-hexahydro-3aH-benzo[g][1]benzofuran-2-one(3aS,5aS,6R,9aR,9bS)-6,9a-dihydroxy-5a-methyl-3,9-dimethylidene-4,5,6,7,8,9b-hexahydro-3aH-benzo(g)(1)benzofuran-2-one(3aS,5aS,6R,9aR,9bS)-Decahydro-6,9a-dihydroxy-5a-methyl-3,9-bis(methylene)naphtho(1,2-b)furan-2(3H)-one(3aS,5aS,6R,9aR,9bS)-Decahydro-6,9a-dihydroxy-5a-methyl-3,9-bis(methylene)naphtho[1,2-b]furan-2(3H)-oneRefChem:1050157DTXCID901543638
名称をさらに表示
UNII-3JZ8COC2DKTANACETIN [MI]CHEBI:173151NS00094028Q27257350(3aS,5aS,6R,9aR,9bS)-6,9a-dihydroxy-5a-methyl-3,9-dimethylidene-4,5,6,7,8,9b-hexahydro-3aH-benzo[g][1]benzouran-2-one(3aS,5aS,6R,9aR,9bS)-6,9a-Dihydroxy-5a-methyl-3,9-dimethylidenedecahydronaphtho[1,2-b]furan-2(3H)-oneNAPHTHO(1,2-B)FURAN-2(3H)-ONE, DECAHYDRO-6,9A-DIHYDROXY-5A-METHYL-3,9-BIS(METHYLENE)-, (3AS-(3A.ALPHA.,5A.BETA.,6.BETA.,9A.ALPHA.,9B.BETA.))-
物性
構造計算による物性
- XLogP
- 1
- 極性表面積
- 66.8 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 4
- 回転可能結合数
- 0
- 重原子数
- 19
- 形式電荷
- 0
- 複雑度
- 483
関連反応
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