Chem
J-GLOBAL ID：200907006516883985   Nikkaji number：J1.028.425B

Adhyperforin

アドヒペルホリン
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： C36H54O4
Molecular formula furigana： C36-H54-O4
Molecular weight： 550.824
InChI： InChI=1S/C36H54O4/c1-12-27(10)30(37)36-32(39)29(18-16-25(6)7)31(38)35(33(36)40,21-19-26(8)9)22-28(17-15-24(4)5)34(36,11)20-13-14-23(2)3/h14-16,19,27-28,39H,12-13,17-18,20-22H2,1-11H3/t27?,28-,34+,35-,36+/m1/s1
InChI key： DHPDSOCOUJHGHE-MFGNAIENSA-N
SMILES： CCC(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-1,3,7α-トリス(3-メチル-2-ブテニル)-5-(2-メチル-1-オキソブチル)-6β-(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,6S,7R)-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)-5-(2-メチルブタノイル)-6-(4-メチルペンタ-3-エン-1-イル)ビシクロ[3.3.1]ノナ-3-エン-2,9-ジオン
  • (1R,5S,6S,7R)-4-hydroxy-6-methyl-1,3,7-tris(3-methylbut-2-en-1-yl)-5-(2-methylbutanoyl)-6-(4-methylpent-3-en-1-yl)bicyclo[3.3.1]non-3-ene-2,9-dione
Other name (3)：
  • (1R,5S)-4-Hydroxy-6-methyl-1,3,7α-tris(3-methyl-2-butenyl)-5-(2-methyl-1-oxobutyl)-6β-(4-methyl-3-pentenyl)bicyclo[3.3.1]nona-3-ene-2,9-dione
  • Adhyperforin
  • アドヒペルホリン
CAS registry number： 143183-63-5
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