Chem
J-GLOBAL ID：200907014478821213   Nikkaji number：J11.577K

Calophyllolide

カロフィロリド
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： C26H24O5
Molecular formula furigana： C26-H24-O5
Molecular weight： 416.473
InChI： InChI=1S/C26H24O5/c1-6-15(2)22(28)21-23(29-5)17-12-13-26(3,4)31-24(17)20-18(14-19(27)30-25(20)21)16-10-8-7-9-11-16/h6-14H,1-5H3/b15-6+
InChI key： PMBLOLOJQZPEND-GIDUJCDVSA-N
SMILES： COc1c2C=CC(C)(C)Oc2c2c(cc(=O)oc2c1C(=O)/C(=C/C)/C)c1ccccc1
Systematic name  (4)：
  • 5-メトキシ-2,2-ジメチル-6-[(E)-2-メチル-1-オキソ-2-ブテニル]-10-フェニル-2H,8H-ベンゾ[1,2-b:3,4-b′]ジピラン-8-オン
  • 5-メトキシ-6-[(E)-2-メチル-2-ブテノイル]-2,2-ジメチル-10-フェニル-2H,8H-ベンゾ[1,2-b:3,4-b′]ジピラン-8-オン
  • 5-メトキシ-2,2-ジメチル-6-[(2E)-2-メチルブタ-2-エノイル]-10-フェニル-2H,8H-ピラノ[2,3-h]クロメン-8-オン
  • 5-methoxy-2,2-dimethyl-6-[(2E)-2-methylbut-2-enoyl]-10-phenyl-2H,8H-pyrano[2,3-h]chromen-8-one
Other name (4)：
  • カロフィロリド
  • Calophyllolide
  • 5-Methoxy-2,2-dimethyl-6-[(E)-2-methyl-1-oxo-2-butenyl]-10-phenyl-2H,8H-benzo[1,2-b:3,4-b′]dipyran-8-one
  • 5-Methoxy-6-[(E)-2-methyl-2-butenoyl]-2,2-dimethyl-10-phenyl-2H,8H-benzo[1,2-b:3,4-b′]dipyran-8-one
CAS registry number： 548-27-6
KEGG COMPOUND： C09158
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