Chem
J-GLOBAL ID：200907085852884547   Nikkaji number：J1.687.204K

Guttiferone A

グッチフェロンA
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： C36H46O6
Molecular formula furigana： C36-H46-O6
Molecular weight： 574.758
InChI： InChI=1S/C36H46O6/c1-21(2)9-11-26-20-35(17-15-23(5)6)32(40)30(31(39)25-12-14-28(37)29(38)19-25)33(41)36(34(35)42,18-16-24(7)8)27(26)13-10-22(3)4/h9-10,12,14-16,19,26-27,37-38,40H,11,13,17-18,20H2,1-8H3/t26-,27+,35+,36-/m0/s1
InChI key： OVOUEMARZKSDTP-CNBFNYPVSA-N
SMILES： CC(=CC[C@H]1C[C@]2(CC=C(C)C)C(=C(C(=O)c3ccc(O)c(O)c3)C(=O)[C@](CC=C(C)C)([C@@H]1CC=C(C)C)C2=O)O)C
Systematic name  (3)：
  • (1R)-1α,2α,3β,5α-テトラキス(3-メチル-2-ブテニル)-6-ヒドロキシ-7-(3,4-ジヒドロキシベンゾイル)ビシクロ[3.3.1]ノナ-6-エン-8,9-ジオン
  • (1R,5S,7S,8R)-3-(3,4-ジヒドロキシベンゾイル)-4-ヒドロキシ-1,5,7,8-テトラキス(3-メチルブタ-2-エン-1-イル)ビシクロ[3.3.1]ノナ-3-エン-2,9-ジオン
  • (1R,5S,7S,8R)-3-(3,4-dihydroxybenzoyl)-4-hydroxy-1,5,7,8-tetrakis(3-methylbut-2-en-1-yl)bicyclo[3.3.1]non-3-ene-2,9-dione
Other name (3)：
  • (1R)-1α,2α,3β,5α-Tetrakis(3-methyl-2-butenyl)-6-hydroxy-7-(3,4-dihydroxybenzoyl)bicyclo[3.3.1]nona-6-ene-8,9-dione
  • Guttiferone A
  • グッチフェロンA
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