Chem
J-GLOBAL ID：200907057081088510   Nikkaji number：J1.043.921C

Japoangelol C

ジャポアンゲロール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： C33H38O7
Molecular formula furigana： C33-H38-O7
Molecular weight： 546.660
InChI： InChI=1S/C33H38O7/c1-5-7-8-9-10-11-12-16-25(17-14-13-15-24(34)6-2)40-33(3,4)30(35)23-38-32-26-18-19-31(36)39-29(26)22-28-27(32)20-21-37-28/h6,12,16,18-22,24-25,30,34-35H,2,5,7-11,23H2,1,3-4H3/b16-12-
InChI key： PZHIVNBTNDVCEU-VBKFSLOCSA-N
SMILES： CCCCCCC/C=C\C(OC(C)(C)C(O)COc1c2ccoc2cc2oc(=O)ccc12)C#CC#CC(O)C=C
Systematic name  (3)：
  • 4-[2-ヒドロキシ-3-メチル-3-[[(Z)-1-(5-ヒドロキシ-6-ヘプテン-1,3-ジイニル)-2-デセニル]オキシ]ブトキシ]-7H-フロ[3,2-g][1]ベンゾピラン-7-オン
  • 4-(2-ヒドロキシ-3-{[(9Z)-3-ヒドロキシヘプタデカ-1,9-ジエン-4,6-ジイン-8-イル]オキシ}-3-メチルブトキシ)-7H-フロ[3,2-g]クロメン-7-オン
  • 4-(2-hydroxy-3-{[(9Z)-3-hydroxyheptadeca-1,9-dien-4,6-diyn-8-yl]oxy}-3-methylbutoxy)-7H-furo[3,2-g]chromen-7-one
Other name (3)：
  • 4-[2-Hydroxy-3-methyl-3-[[(Z)-1-(5-hydroxy-6-heptene-1,3-diynyl)-2-decenyl]oxy]butoxy]-7H-furo[3,2-g][1]benzopyran-7-one
  • ジャポアンゲロールC
  • Japoangelol C
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