Chem
J-GLOBAL ID：200907001267632843   Nikkaji number：J13.216K

Spheroidenone

スフェロイデノン
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： C41H58O2
Molecular formula furigana： C41-H58-O2
Molecular weight： 582.913
InChI： InChI=1S/C41H58O2/c1-33(2)19-14-22-36(5)25-17-28-37(6)26-15-23-34(3)20-12-13-21-35(4)24-16-27-38(7)29-18-30-39(8)31-32-40(42)41(9,10)43-11/h12-13,15-16,18-21,23-27,29-32H,14,17,22,28H2,1-11H3/b13-12+,23-15+,24-16+,29-18+,32-31?,34-20+,35-21+,36-25+,37-26+,38-27+,39-30+
InChI key： ZQFURSYWJPLAJR-CUUGMDNSSA-N
SMILES： COC(C)(C)C(=O)C=C/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)/C)/C)/C
Systematic name  (3)：
  • 3,4-ジデヒドロ-1,2,7′,8′-テトラヒドロ-1-メトキシ-2-オキソ-ψ,ψ-カロテン
  • (6E,8E,10E,12E,14E,16E,18E,20E,22E,26E)-2-メトキシ-2,6,10,14,19,23,27,31-オクタメチルドトリアコンタ-4,6,8,10,12,14,16,18,20,22,26,30-ドデカエン-3-オン
  • (6E,8E,10E,12E,14E,16E,18E,20E,22E,26E)-2-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,6,8,10,12,14,16,18,20,22,26,30-dodecaen-3-one
Other name (3)：
  • スフェロイデノン
  • Spheroidenone
  • 3,4-Didehydro-1,2,7′,8′-tetrahydro-1-methoxy-2-oxo-ψ,ψ-carotene
CAS registry number： 13836-70-9
KEGG COMPOUND： C15903
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