Chem
J-GLOBAL ID：200907037624934645   Nikkaji number：J917.648I

Ferutinin

フェルチニン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C22H30O4
Molecular formula furigana： C22-H30-O4
Molecular weight： 358.478
InChI： InChI=1S/C22H30O4/c1-14(2)22(25)12-11-21(4)10-9-15(3)13-18(19(21)22)26-20(24)16-5-7-17(23)8-6-16/h5-9,14,18-19,23,25H,10-13H2,1-4H3/t18-,19+,21-,22+/m0/s1
InChI key： CYSHNJQMYORNJI-YUVXSKOASA-N
SMILES： CC(C)[C@]1(O)CC[C@]2(C)CC=C(C)C[C@H](OC(=O)c3ccc(O)cc3)[C@@H]12
Systematic name  (5)：
  • 4-ヒドロキシ安息香酸[(3R,3aS,4S,8aR)-3-ヒドロキシ-3-イソプロピル-6,8a-ジメチル-1,2,3,3a,4,5,8,8a-オクタヒドロアズレン]-4-イル
  • 4-ヒドロキシ安息香酸(3R)-3-イソプロピル-3α-ヒドロキシ-6,8aα-ジメチル-1,2,3,3aβ,4,5,8,8a-オクタヒドロアズレン-4β-イル
  • 1,2,3,3a,4,7,8,8aα-オクタヒドロ-8α-[(4-ヒドロキシベンゾイル)オキシ]-1-イソプロピル-3aβ,6-ジメチルアズレン-1β-オール
  • (3R,3aS,4S,8aR)-3-ヒドロキシ-6,8a-ジメチル-3-(プロパン-2-イル)-1,2,3,3a,4,5,8,8a-オクタヒドロアズレン-4-イル 4-ヒドロキシベンゾアート
  • (3R,3aS,4S,8aR)-3-hydroxy-6,8a-dimethyl-3-(propan-2-yl)-1,2,3,3a,4,5,8,8a-octahydroazulen-4-yl 4-hydroxybenzoate
Other name (8)：
  • フェルチニン
  • Ferutinin
  • 4-Hydroxybenzoic acid [(3R,3aS,4S,8aR)-3-hydroxy-3-isopropyl-6,8a-dimethyl-1,2,3,3a,4,5,8,8a-octahydroazulen]-4-yl ester
  • 4-Hydroxybenzoic acid (3R)-3-isopropyl-3α-hydroxy-6,8aα-dimethyl-1,2,3,3aβ,4,5,8,8a-octahydroazulen-4β-yl ester
  • 1,2,3,3a,4,7,8,8aα-Octahydro-8α-[(4-hydroxybenzoyl)oxy]-1-isopropyl-3aβ,6-dimethylazulen-1β-ol
Show all
CAS registry number： 41743-44-6
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