Chem
J-GLOBAL ID：201207031303471888   Nikkaji number：J3.081.170D

Simplexolide E

シンプレキソリドE
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： C17H30O3
Molecular formula furigana： C17-H30-O3
Molecular weight： 282.424
InChI： InChI=1S/C17H30O3/c1-5-8-9-13(4)10-14(6-2)12-17(7-3)15(18)11-16(19)20-17/h12-13,15,18H,5-11H2,1-4H3/b14-12+/t13?,15-,17+/m0/s1
InChI key： AKYYOIDSLIDKRA-DHZZXXTESA-N
SMILES： CCCCC(C)C/C(=C/[C@@]1(CC)OC(=O)C[C@@H]1O)/CC
Systematic name  (3)：
  • 5-[(E)-2-エチル-4-メチル-1-オクテニル]-5α-エチル-4α-ヒドロキシテトラヒドロフラン-2-オン
  • (4S,5R)-5-エチル-5-[(1E)-2-エチル-4-メチルオクタ-1-エン-1-イル]-4-ヒドロキシオキソラン-2-オン
  • (4S,5R)-5-ethyl-5-[(1E)-2-ethyl-4-methyloct-1-en-1-yl]-4-hydroxyoxolan-2-one
Other name (3)：
  • 5-[(E)-2-Ethyl-4-methyl-1-octenyl]-5α-ethyl-4α-hydroxytetrahydrofuran-2-one
  • Simplexolide E
  • シンプレキソリドE
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