Chem
J-GLOBAL ID：200907023892483485   Nikkaji number：J15.315J

Hyperforin

ヒペルホリン
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： C35H52O4
Molecular formula furigana： C35-H52-O4
Molecular weight： 536.797
InChI： InChI=1S/C35H52O4/c1-22(2)13-12-19-33(11)27(16-14-23(3)4)21-34(20-18-25(7)8)30(37)28(17-15-24(5)6)31(38)35(33,32(34)39)29(36)26(9)10/h13-15,18,26-27,38H,12,16-17,19-21H2,1-11H3/t27-,33+,34+,35-/m0/s1
InChI key： IWBJJCOKGLUQIZ-HQKKAZOISA-N
SMILES： CC(C)C(=O)[C@@]12C(=C(CC=C(C)C)C(=O)[C@@](CC=C(C)C)(C[C@H](CC=C(C)C)[C@@]1(C)CCC=C(C)C)C2=O)O
Systematic name  (3)：
  • (1R,5S)-4-ヒドロキシ-6-メチル-1,3,7β-トリス(3-メチル-2-ブテニル)-5-(2-メチル-1-オキソプロピル)-6α-(4-メチル-3-ペンテニル)ビシクロ[3.3.1]ノナ-3-エン-2,9-ジオン
  • (1R,5S,6R,7S)-4-ヒドロキシ-6-メチル-1,3,7-トリス(3-メチルブタ-2-エン-1-イル)-6-(4-メチルペンタ-3-エン-1-イル)-5-(2-メチルプロパノイル)ビシクロ[3.3.1]ノナ-3-エン-2,9-ジオン
  • (1R,5S,6R,7S)-4-hydroxy-6-methyl-1,3,7-tris(3-methylbut-2-en-1-yl)-6-(4-methylpent-3-en-1-yl)-5-(2-methylpropanoyl)bicyclo[3.3.1]non-3-ene-2,9-dione
Other name (4)：
  • ヒペルホリン
  • Hyperforin
  • (1R,5S)-4-Hydroxy-6-methyl-1,3,7β-tris(3-methyl-2-butenyl)-5-(2-methyl-1-oxopropyl)-6α-(4-methyl-3-pentenyl)bicyclo[3.3.1]non-3-ene-2,9-dione
  • ヒペルフォリン
CAS registry number： 11079-53-1
KEGG COMPOUND： C07608
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