Chem
J-GLOBAL ID：200907000849927175   Nikkaji number：J866.347E

Cucumariaxanthin A

ククマリアキサンチンA
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： C40H56O2
Molecular formula furigana： C40-H56-O2
Molecular weight： 568.886
InChI： InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-35-33(5)37(41)25-27-39(35,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-36-34(6)38(42)26-28-40(36,9)10/h11-24,33-36H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19-,32-20-/t33-,34-,35-,36-/m0/s1
InChI key： PJYHZSCGWKQKPK-JOOUWJRPSA-N
SMILES： C[C@H]1[C@H](/C=C/C(=C\C=C\C(=C\C=C\C=C(/C)\C=C\C=C(\C)/C=C/[C@H]2[C@H](C)C(=O)CCC2(C)C)\C)/C)C(C)(C)CCC1=O
Systematic name  (3)：
  • (5S,5′S,6S,6′S,9Z,9′Z)-5,5′,6,6′-テトラヒドロ-β,β-カロテン-4,4′-ジオン
  • (2S,3S)-2,4,4-トリメチル-3-[(1E,3Z,5E,7E,9E,11E,13E,15Z,17E)-3,7,12,16-テトラメチル-18-[(1S,6S)-2,2,6-トリメチル-5-オキソシクロヘキシル]オクタデカ-1,3,5,7,9,11,13,15,17-ノナエン-1-イル]シクロヘキサン-1-オン
  • (2S,3S)-2,4,4-trimethyl-3-[(1E,3Z,5E,7E,9E,11E,13E,15Z,17E)-3,7,12,16-tetramethyl-18-[(1S,6S)-2,2,6-trimethyl-5-oxocyclohexyl]octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]cyclohexan-1-one
Other name (3)：
  • ククマリアキサンチンA
  • Cucumariaxanthin A
  • (5S,5′S,6S,6′S,9Z,9′Z)-5,5′,6,6′-Tetrahydro-β,β-carotene-4,4′-dione
CAS registry number： 167613-52-7
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