Chem
J-GLOBAL ID：201307062113916824   Nikkaji number：J3.167.849H

Hypercalin A

ハイパーカリンA
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： C26H38O5
Molecular formula furigana： C26-H38-O5
Molecular weight： 430.585
InChI： InChI=1S/C26H38O5/c1-14(2)8-9-18-23(28)19(13-20-17(16(5)6)10-11-26(20,7)31)25(30)22(24(18)29)21(27)12-15(3)4/h8,15,17,19-20,28,30-31H,5,9-13H2,1-4,6-7H3
InChI key： PFJLLZIHBNOFLA-UHFFFAOYSA-N
SMILES： CC(C)CC(=O)C1=C(O)C(CC2C(CCC2(C)O)C(=C)C)C(=C(CC=C(C)C)C1=O)O
Systematic name  (3)：
  • 3,5-ジヒドロキシ-4-[(2-ヒドロキシ-5-イソプロペニル-2-メチルシクロペンチル)メチル]-2-(3-メチルブチリル)-6-(3-メチル-2-ブテニル)-2,5-シクロヘキサジエン-1-オン
  • 3,5-ジヒドロキシ-4-{[2-ヒドロキシ-2-メチル-5-(プロパ-1-エン-2-イル)シクロペンチル]メチル}-2-(3-メチルブタ-2-エン-1-イル)-6-(3-メチルブタノイル)シクロヘキサ-2,5-ジエン-1-オン
  • 3,5-dihydroxy-4-{[2-hydroxy-2-methyl-5-(prop-1-en-2-yl)cyclopentyl]methyl}-2-(3-methylbut-2-en-1-yl)-6-(3-methylbutanoyl)cyclohexa-2,5-dien-1-one
Other name (3)：
  • 3,5-Dihydroxy-4-[(2-hydroxy-5-isopropenyl-2-methylcyclopentyl)methyl]-2-(3-methylbutyryl)-6-(3-methyl-2-butenyl)-2,5-cyclohexadiene-1-one
  • Hypercalin A
  • ハイパーカリンA
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