Chem
J-GLOBAL ID：200907035664540434   Nikkaji number：J47.928D

Chalcomoracin

カルコモラシン
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： C39H36O9
Molecular formula furigana： C39-H36-O9
Molecular weight： 648.708
InChI： InChI=1S/C39H36O9/c1-19(2)4-8-26-30(42)11-10-27(38(26)46)39(47)36-28(25-9-7-23(40)17-31(25)43)12-20(3)13-29(36)37-32(44)14-22(15-33(37)45)34-16-21-5-6-24(41)18-35(21)48-34/h4-7,9-11,13-18,28-29,36,40-46H,8,12H2,1-3H3
InChI key： SEHVRKPXIDOTRX-UHFFFAOYSA-N
SMILES： CC(=CCc1c(O)ccc(C(=O)C2C(CC(=CC2c2c(O)cc(cc2O)c2cc3ccc(O)cc3o2)C)c2ccc(O)cc2O)c1O)C
Systematic name  (3)：
  • (+)-[2-[2,6-ジヒドロキシ-4-(6-ヒドロキシベンゾフラン-2-イル)フェニル]-6-(2,4-ジヒドロキシフェニル)-4-メチル-3-シクロヘキセン-1-イル][2,4-ジヒドロキシ-3-(3-メチル-2-ブテン-1-イル)フェニル]メタノン
  • 2-{6-[2,4-ジヒドロキシ-3-(3-メチルブタ-2-エン-1-イル)ベンゾイル]-5-(2,4-ジヒドロキシフェニル)-3-メチルシクロヘキサ-2-エン-1-イル}-5-(6-ヒドロキシ-1-ベンゾフラン-2-イル)ベンゼン-1,3-ジオール
  • 2-{6-[2,4-dihydroxy-3-(3-methylbut-2-en-1-yl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl}-5-(6-hydroxy-1-benzofuran-2-yl)benzene-1,3-diol
Other name (3)：
  • カルコモラシン
  • Chalcomoracin
  • (+)-[2-[2,6-Dihydroxy-4-(6-hydroxybenzofuran-2-yl)phenyl]-6-(2,4-dihydroxyphenyl)-4-methyl-3-cyclohexen-1-yl][2,4-dihydroxy-3-(3-methyl-2-buten-1-yl)phenyl]methanone
CAS registry number： 76472-89-4
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