Chem
J-GLOBAL ID：200907074604730825   Nikkaji number：J1.043.919A

Japoangelol B

ジャポアンゲロールB
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： C34H40O8
Molecular formula furigana： C34-H40-O8
Molecular weight： 576.686
InChI： InChI=1S/C34H40O8/c1-6-8-9-10-11-12-13-16-24(35)17-14-15-18-25(7-2)42-34(3,4)28(36)23-40-33-31-27(21-22-39-31)30(38-5)26-19-20-29(37)41-32(26)33/h7,13,16,19-22,24-25,28,35-36H,2,6,8-12,23H2,1,3-5H3/b16-13-
InChI key： NSWJSXKALYPPSU-SSZFMOIBSA-N
SMILES： CCCCCCC/C=C\C(O)C#CC#CC(OC(C)(C)C(O)COc1c2occc2c(OC)c2ccc(=O)oc12)C=C
Systematic name  (3)：
  • 4-メトキシ-9-[2-ヒドロキシ-3-メチル-3-[[(7Z)-1-ビニル-6-ヒドロキシ-7-ペンタデセン-2,4-ジイニル]オキシ]ブトキシ]-7H-フロ[3,2-g][1]ベンゾピラン-7-オン
  • 9-(2-ヒドロキシ-3-{[(9Z)-8-ヒドロキシヘプタデカ-1,9-ジエン-4,6-ジイン-3-イル]オキシ}-3-メチルブトキシ)-4-メトキシ-7H-フロ[3,2-g]クロメン-7-オン
  • 9-(2-hydroxy-3-{[(9Z)-8-hydroxyheptadeca-1,9-dien-4,6-diyn-3-yl]oxy}-3-methylbutoxy)-4-methoxy-7H-furo[3,2-g]chromen-7-one
Other name (3)：
  • 4-Methoxy-9-[2-hydroxy-3-methyl-3-[[(7Z)-1-vinyl-6-hydroxy-7-pentadecene-2,4-diynyl]oxy]butoxy]-7H-furo[3,2-g][1]benzopyran-7-one
  • ジャポアンゲロールB
  • Japoangelol B
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