Chem
J-GLOBAL ID：200907082127747918   Nikkaji number：J13.215B

Spheroidene

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： C41H60O
Molecular formula furigana： C41-H60-O
Molecular weight： 568.930
InChI： InChI=1S/C41H60O/c1-34(2)20-14-23-37(5)26-17-29-38(6)27-15-24-35(3)21-12-13-22-36(4)25-16-28-39(7)30-18-31-40(8)32-19-33-41(9,10)42-11/h12-13,15-16,18-22,24-28,30-32H,14,17,23,29,33H2,1-11H3/b13-12+,24-15+,25-16+,30-18+,32-19?,35-21+,36-22+,37-26+,38-27+,39-28+,40-31+
InChI key： FJOCMTHZSURUFA-HOUALTIRSA-N
SMILES： COC(C)(C)CC=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-ψ,ψ-カロテン
  • (6E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-31-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-2,6,10,12,14,16,18,20,22,24,26,28-ドデカエン
  • (6E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,20,22,24,26,28-dodecaene
Other name (3)：
  • スフェロイデン
  • Spheroidene
  • 3,4-Didehydro-1,2,7′,8′-tetrahydro-1-methoxy-ψ,ψ-carotene
CAS registry number： 13836-61-8
KEGG COMPOUND： C15900
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