Chem
J-GLOBAL ID：200907037706356305
Nikkaji number：J914.994E
(9′Z)-β-Echinenone
(9′Z)-β-エキネノン
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
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
Molecular formula： C40H54O
Molecular formula furigana： C40-H54-O
Molecular weight： 550.871
InChI：
InChI=1S/C40H54O/c1-30(18-13-20-32(3)23-25-36-34(5)22-15-28-39(36,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-37-35(6)38(41)27-29-40(37,9)10/h11-14,16-21,23-26H,15,22,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20-,33-21+
InChI key：
QXNWZXMBUKUYMD-BEWVHMHCSA-N
SMILES：
C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)C(=O)CCC1(C)C)/C=C/C=C(/C)\C=C\C1=C(C)CCCC1(C)C
Systematic name (3)：
- (9′Z)-β,β-カロテン-4-オン
- 2,4,4-トリメチル-3-[(1E,3E,5E,7E,9E,11E,13E,15Z,17E)-3,7,12,16-テトラメチル-18-(2,6,6-トリメチルシクロヘキサ-1-エン-1-イル)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-2-エン-1-オン
- 2,4,4-trimethyl-3-[(1E,3E,5E,7E,9E,11E,13E,15Z,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohex-1-en-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]cyclohex-2-en-1-one
- (9′Z)-β-エキネノン
- (9′Z)-β-Echinenone
- (9′Z)-β,β-Caroten-4-one
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