Chem
J-GLOBAL ID：200907071348704448   Nikkaji number：J1.174.819H

Lespedezol A5

レスペデゾールA5
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： C27H28O7
Molecular formula furigana： C27-H28-O7
Molecular weight： 464.514
InChI： InChI=1S/C27H28O7/c1-14(2)6-5-7-15(3)8-10-18-23(29)24(30)22(27(31)32-4)21-19-13-33-20-12-16(28)9-11-17(20)25(19)34-26(18)21/h6,8-9,11-12,28-30H,5,7,10,13H2,1-4H3
InChI key： HEOXCFPTWPWVSG-UHFFFAOYSA-N
SMILES： COC(=O)c1c(O)c(O)c(CC=C(C)CCC=C(C)C)c2oc3c(COc4cc(O)ccc34)c12
Systematic name  (3)：
  • 3,8,9-トリヒドロキシ-10-(3,7-ジメチル-2,6-オクタジエニル)-6H-ベンゾフロ[3,2-c][1]ベンゾピラン-7-カルボン酸メチル
  • メチル 15-(3,7-ジメチルオクタ-2,6-ジエン-1-イル)-5,13,14-トリヒドロキシ-8,17-ジオキサテトラシクロ[8.7.0.02,7.011,16]ヘプタデカ-1(10),2,4,6,11,13,15-ヘプタエン-12-カルボキシラート
  • methyl 15-(3,7-dimethylocta-2,6-dien-1-yl)-5,13,14-trihydroxy-8,17-dioxatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11,13,15-heptaene-12-carboxylate
Other name (3)：
  • 3,8,9-Trihydroxy-10-(3,7-dimethyl-2,6-octadienyl)-6H-benzofuro[3,2-c][1]benzopyran-7-carboxylic acid methyl ester
  • レスペデゾールA5
  • Lespedezol A5
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