Chem
J-GLOBAL ID：200907041403261945   Nikkaji number：J2.539.712F

Hanagokenol B

ハナゴケノールB
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： C20H26O5
Molecular formula furigana： C20-H26-O5
Molecular weight： 346.423
InChI： InChI=1S/C20H26O5/c1-11(2)12-8-13(17(22)23)14(9-15(12)21)20(4)7-5-6-19(3)10-25-18(24)16(19)20/h8-9,11,16,21H,5-7,10H2,1-4H3,(H,22,23)/t16-,19-,20+/m0/s1
InChI key： XEYFSNHIPLMFRB-FFZOFVMBSA-N
SMILES： CC(C)c1cc(C(=O)O)c(cc1O)[C@@]1(C)CCC[C@@]2(C)COC(=O)[C@H]12
Systematic name  (3)：
  • 2-[(3aR)-3-オキソ-4,7aα-ジメチルオクタヒドロイソベンゾフラン-4β-イル]-4-ヒドロキシ-5-イソプロピル安息香酸
  • 2-[(3aR,4S,7aR)-4,7a-ジメチル-3-オキソ-オクタヒドロ-2-ベンゾフラン-4-イル]-4-ヒドロキシ-5-(プロパン-2-イル)安息香酸
  • 2-[(3aR,4S,7aR)-4,7a-dimethyl-3-oxo-octahydro-2-benzofuran-4-yl]-4-hydroxy-5-(propan-2-yl)benzoic acid
Other name (3)：
  • 2-[(3aR)-3-Oxo-4,7aα-dimethyloctahydroisobenzofuran-4β-yl]-4-hydroxy-5-isopropylbenzoic acid
  • ハナゴケノールB
  • Hanagokenol B
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