Chem
J-GLOBAL ID：201107088997417545   Nikkaji number：J2.989.589I

3-[(E)-2-Oxo-5α-hydroxy-6β-[(E)-1,3-dimethyl-1-nonenyl]-5,6-dihydro-2H-pyran-3(4H)-ylidene]propanoic acid

3-[(3E,5S,6R)-5-ヒドロキシ-6-[(2E)-4-メチルデカ-2-エン-2-イル]-2-オキソオキサン-3-イリデン]プロパン酸
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： C19H30O5
Molecular formula furigana： C19-H30-O5
Molecular weight： 338.444
InChI： InChI=1S/C19H30O5/c1-4-5-6-7-8-13(2)11-14(3)18-16(20)12-15(19(23)24-18)9-10-17(21)22/h9,11,13,16,18,20H,4-8,10,12H2,1-3H3,(H,21,22)/b14-11+,15-9+/t13?,16-,18+/m0/s1
InChI key： XMARGTUPGWFYOK-SUZWLMIWSA-N
SMILES： CCCCCCC(C)/C=C(\C)/[C@H]1OC(=O)/C(=C/CC(=O)O)/C[C@@H]1O
Systematic name  (3)：
  • 3-[(E)-2-オキソ-5α-ヒドロキシ-6β-[(E)-1,3-ジメチル-1-ノネニル]-5,6-ジヒドロ-2H-ピラン-3(4H)-イリデン]プロパン酸
  • 3-[(3E,5S,6R)-5-ヒドロキシ-6-[(2E)-4-メチルデカ-2-エン-2-イル]-2-オキソオキサン-3-イリデン]プロパン酸
  • 3-[(3E,5S,6R)-5-hydroxy-6-[(2E)-4-methyldec-2-en-2-yl]-2-oxooxan-3-ylidene]propanoic acid
Other name (1)：
  • 3-[(E)-2-Oxo-5α-hydroxy-6β-[(E)-1,3-dimethyl-1-nonenyl]-5,6-dihydro-2H-pyran-3(4H)-ylidene]propanoic acid
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