Chem
J-GLOBAL ID：200907024263312488   Nikkaji number：J2.767.385F

Mulberrofuran C

ムルベロフランC
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： C34H28O9
Molecular formula furigana： C34-H28-O9
Molecular weight： 580.589
InChI： InChI=1S/C34H28O9/c1-16-8-24(22-6-4-19(35)13-26(22)38)32(34(42)23-7-5-20(36)14-27(23)39)25(9-16)33-28(40)10-18(11-29(33)41)30-12-17-2-3-21(37)15-31(17)43-30/h2-7,9-15,24-25,32,35-41H,8H2,1H3/t24-,25+,32-/m0/s1
InChI key： WTGKDESIYCVAOP-UNTHUGQZSA-N
SMILES： CC1=C[C@H]([C@H]([C@@H](C1)c1ccc(O)cc1O)C(=O)c1ccc(O)cc1O)c1c(O)cc(cc1O)c1cc2ccc(O)cc2o1
Systematic name  (3)：
  • [(1S,2R,6R)-2-[2,6-ジヒドロキシ-4-(6-ヒドロキシ-2-ベンゾフラニル)フェニル]-6-(2,4-ジヒドロキシフェニル)-4-メチル-3-シクロヘキセニル](2,4-ジヒドロキシフェニル)メタノン
  • 2-[(1R,5R,6S)-6-(2,4-ジヒドロキシベンゾイル)-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-[(1R,5R,6S)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-5-(6-hydroxy-1-benzofuran-2-yl)benzene-1,3-diol
Other name (3)：
  • [(1S,2R,6R)-2-[2,6-Dihydroxy-4-(6-hydroxy-2-benzofuranyl)phenyl]-6-(2,4-dihydroxyphenyl)-4-methyl-3-cyclohexenyl](2,4-dihydroxyphenyl)methanone
  • Mulberrofuran C
  • ムルベロフランC
CAS registry number： 77996-04-4
KEGG COMPOUND： C08928
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