Chem
J-GLOBAL ID：200907047665264080   Nikkaji number：J1.629.941C

Demethylspheroidene

デメチルスフェロイデン
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： C40H58O
Molecular formula furigana： C40-H58-O
Molecular weight： 554.903
InChI： InChI=1S/C40H58O/c1-33(2)19-13-22-36(5)25-16-28-37(6)26-14-23-34(3)20-11-12-21-35(4)24-15-27-38(7)29-17-30-39(8)31-18-32-40(9,10)41/h11-12,14-15,17-21,23-27,29-31,41H,13,16,22,28,32H2,1-10H3/b12-11+,23-14+,24-15+,29-17+,31-18?,34-20+,35-21+,36-25+,37-26+,38-27+,39-30+
InChI key： IKOGZSUEGBDVQU-BLJTTXKJSA-N
SMILES： CC(=CCC/C(=C/CC/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/C=CCC(C)(C)O)/C)/C)/C)C
Systematic name  (4)：
  • 1-ヒドロキシ-3,4-ジデヒドロ-1,2,7′,8′-テトラヒドロ-ψ,ψ-カロテン
  • 3,4-ジデヒドロ-1,2,7′,8′-テトラヒドロ-1-ヒドロキシ-ψ,ψ-カロテン
  • (6E,8E,10E,12E,14E,16E,18E,20E,22E,26E)-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-2-オール
  • (6E,8E,10E,12E,14E,16E,18E,20E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,6,8,10,12,14,16,18,20,22,26,30-dodecaen-2-ol
Other name (4)：
  • 1-Hydroxy-3,4-didehydro-1,2,7′,8′-tetrahydro-ψ,ψ-carotene
  • 3,4-Didehydro-1,2,7′,8′-tetrahydro-1-hydroxy-ψ,ψ-carotene
  • Demethylspheroidene
  • デメチルスフェロイデン
KEGG COMPOUND： C15898
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