Chem
J-GLOBAL ID：200907056387944899   Nikkaji number：J1.419.066J

Crinatusin B1

クリナツシンB1
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： C27H32O4
Molecular formula furigana： C27-H32-O4
Molecular weight： 420.549
InChI： InChI=1S/C27H32O4/c1-17(2)9-8-10-19-13-14-21(22(15-19)20-11-6-5-7-12-20)27(30)25-24(31-4)16-23(28)18(3)26(25)29/h5-7,9,11-13,16,21-22,28-29H,8,10,14-15H2,1-4H3/t21?,22-/m0/s1
InChI key： DJCRMQTYRMUEBG-KEKNWZKVSA-N
SMILES： COc1cc(O)c(C)c(O)c1C(=O)C1CC=C(CCC=C(C)C)C[C@H]1c1ccccc1
Systematic name  (3)：
  • (2-メトキシ-4,6-ジヒドロキシ-5-メチルフェニル)[(6R)-4-(4-メチル-3-ペンテニル)-6-フェニル-3-シクロヘキセニル]ケトン
  • 5-メトキシ-2-メチル-4-[(6R)-4-(4-メチルペンタ-3-エン-1-イル)-6-フェニルシクロヘキサ-3-エン-1-カルボニル]ベンゼン-1,3-ジオール
  • 5-methoxy-2-methyl-4-[(6R)-4-(4-methylpent-3-en-1-yl)-6-phenylcyclohex-3-ene-1-carbonyl]benzene-1,3-diol
Other name (3)：
  • (2-Methoxy-4,6-dihydroxy-5-methylphenyl)[(6R)-4-(4-methyl-3-pentenyl)-6-phenyl-3-cyclohexenyl] ketone
  • クリナツシンB1
  • Crinatusin B1
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