Chem
J-GLOBAL ID：200907008150292515   Nikkaji number：J2.774.592J

Agrimophol

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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： C26H34O8
Molecular formula furigana： C26-H34-O8
Molecular weight： 474.550
InChI： InChI=1S/C26H34O8/c1-8-10-16(27)17-22(31)15(20(29)13(4)23(17)34-7)11-26(6)24(32)14(5)21(30)18(25(26)33)19(28)12(3)9-2/h12,29-32H,8-11H2,1-7H3/t12-,26+/m1/s1
InChI key： NQGCBDWQKDAGTK-RYZVSIALSA-N
SMILES： CCCC(=O)c1c(O)c(C[C@@]2(C)C(=C(C)C(=C(C(=O)[C@H](C)CC)C2=O)O)O)c(O)c(C)c1OC
Systematic name  (3)：
  • 6α-(2,6-ジヒドロキシ-4-メトキシ-3-メチル-5-ブタノイルベンジル)-3,5-ジヒドロキシ-4,6-ジメチル-2-[(R)-2-メチルブタノイル]-2,4-シクロヘキサジエン-1-オン
  • (6S)-6-[(3-ブタノイル-2,6-ジヒドロキシ-4-メトキシ-5-メチルフェニル)メチル]-3,5-ジヒドロキシ-4,6-ジメチル-2-[(2R)-2-メチルブタノイル]シクロヘキサ-2,4-ジエン-1-オン
  • (6S)-6-[(3-butanoyl-2,6-dihydroxy-4-methoxy-5-methylphenyl)methyl]-3,5-dihydroxy-4,6-dimethyl-2-[(2R)-2-methylbutanoyl]cyclohexa-2,4-dien-1-one
Other name (3)：
  • 6α-(2,6-Dihydroxy-4-methoxy-3-methyl-5-butanoylbenzyl)-3,5-dihydroxy-4,6-dimethyl-2-[(R)-2-methylbutanoyl]-2,4-cyclohexadiene-1-one
  • Agrimophol
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CAS registry number： 65792-05-4
KEGG COMPOUND： C10671
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