Chem
J-GLOBAL ID：200907076940157680   Nikkaji number：J12.886D

Pycnolide

ピクノリド
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： C20H28O6
Molecular formula furigana： C20-H28-O6
Molecular weight： 364.438
InChI： InChI=1S/C20H28O6/c1-6-14(4)19(23)25-16(9-12(2)7-8-21)18-15(5)20(24)26-17(18)10-13(3)11-22/h6-7,10,16-18,21-22H,5,8-9,11H2,1-4H3/b12-7+,13-10+,14-6-/t16-,17-,18-/m1/s1
InChI key： GHEIESSKOYFMTB-XSBMVCGPSA-N
SMILES： C/C=C(/C)\C(=O)O[C@H](C/C(=C/CO)/C)[C@@H]1[C@H](OC(=O)C1=C)/C=C(\C)/CO
Systematic name  (3)：
  • (Z)-2-メチル-2-ブテン酸[(R,E)-5-ヒドロキシ-3-メチル-1-[(2R,3R)-テトラヒドロ-2-[(E)-3-ヒドロキシ-2-メチル-1-プロペニル]-4-メチレン-5-オキソフラン-3-イル]-3-ペンテニル]
  • (1R,3E)-5-ヒドロキシ-1-[(2R,3R)-2-[(1E)-3-ヒドロキシ-2-メチルプロパ-1-エン-1-イル]-4-メチリデン-5-オキソオキソラン-3-イル]-3-メチルペンタ-3-エン-1-イル (2Z)-2-メチルブタ-2-エノアート
  • (1R,3E)-5-hydroxy-1-[(2R,3R)-2-[(1E)-3-hydroxy-2-methylprop-1-en-1-yl]-4-methylidene-5-oxooxolan-3-yl]-3-methylpent-3-en-1-yl (2Z)-2-methylbut-2-enoate
Other name (3)：
  • ピクノリド
  • Pycnolide
  • (Z)-2-Methyl-2-butenoic acid [(R,E)-5-hydroxy-3-methyl-1-[(2R,3R)-tetrahydro-2-[(E)-3-hydroxy-2-methyl-1-propenyl]-4-methylene-5-oxofuran-3-yl]-3-pentenyl] ester
CAS registry number： 55306-05-3
KEGG COMPOUND： C09535
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