Chem
J-GLOBAL ID：200907099526800776   Nikkaji number：J1.998.452D

3,4-Didehydro-β,κ-carotene-6′-one

3,4-ジデヒドロキシ-3′-デオキシカプサンチン
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： C40H54O
Molecular formula furigana： C40-H54-O
Molecular weight： 550.871
InChI： InChI=1S/C40H54O/c1-31(19-13-21-33(3)24-26-36-35(5)23-15-28-38(36,6)7)17-11-12-18-32(2)20-14-22-34(4)25-27-37(41)40(10)30-16-29-39(40,8)9/h11-15,17-27H,16,28-30H2,1-10H3/b12-11+,19-13+,20-14+,26-24+,27-25+,31-17+,32-18+,33-21+,34-22+/t40-/m0/s1
InChI key： ZFQAIKNKCQDPPB-BKGWKKLQSA-N
SMILES： C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)C=CCC1(C)C)/C=C/C=C(\C)/C=C/C(=O)[C@]1(C)CCCC1(C)C
Systematic name  (4)：
  • 3,4-ジデヒドロ-β,κ-カロテン-6′-オン
  • (5′R)-3,4-ジデヒドロ-β,κ-カロテン-6′-オン
  • (2E,4E,6E,8E,10E,12E,14E,16E,18E)-4,8,13,17-テトラメチル-19-(2,6,6-トリメチルシクロヘキサ-1,3-ジエン-1-イル)-1-[(1R)-1,2,2-トリメチルシクロペンチル]ノナデカ-2,4,6,8,10,12,14,16,18-ノナエン-1-オン
  • (2E,4E,6E,8E,10E,12E,14E,16E,18E)-4,8,13,17-tetramethyl-19-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)-1-[(1R)-1,2,2-trimethylcyclopentyl]nonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one
Other name (4)：
  • 3,4-Didehydro-β,κ-carotene-6′-one
  • (5′R)-3,4-Didehydro-β,κ-carotene-6′-one
  • 3,4-ジデヒドロキシ-3′-デオキシカプサンチン
  • 3,4-Didehydroxy-3′-deoxycapsanthin
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