Chem
J-GLOBAL ID：200907072440648453   Nikkaji number：J11.882F

ε-Carotene

ε-カロテン
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： C40H56
Molecular formula furigana： C40-H56
Molecular weight： 536.888
InChI： InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-28,37-38H,15-16,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+/t37-,38-/m0/s1
InChI key： QABFXOMOOYWZLZ-GDBZIMIPSA-N
SMILES： C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\[C@H]1C(=CCCC1(C)C)C)/C=C/C=C(\C)/C=C/[C@H]1C(=CCCC1(C)C)C
Systematic name  (3)：
  • ε,ε-カロテン
  • (6R)-1,5,5-トリメチル-6-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-テトラメチル-18-[(1R)-2,6,6-トリメチルシクロヘキサ-2-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-1-エン
  • (6R)-1,5,5-trimethyl-6-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]cyclohex-1-ene
Other name (3)：
  • ε-カロテン
  • ε-Carotene
  • ε,ε-Carotene
CAS registry number： 472-89-9
KEGG COMPOUND： C16276
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