Chem
J-GLOBAL ID：200907086776745920   Nikkaji number：J1.545.330C

(3S,3′S,6S,6′S)-ε,ε-Carotene-3,3′-diol

(3S,3′S,6S,6′S)-ε,ε-カロテン-3,3′-ジオール
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)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-26,35-38,41-42H,27-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36-,37-,38-/m1/s1
InChI key： BIPAHAFBQLWRMC-FBZONVGVSA-N
SMILES： C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\[C@@H]1C(=C[C@@H](O)CC1(C)C)C)/C=C/C=C(\C)/C=C/[C@@H]1C(=C[C@@H](O)CC1(C)C)C
Systematic name  (3)：
  • (3S,3′S,6S,6′S)-ε,ε-カロテン-3,3′-ジオール
  • (1S,4S)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4S)-4-ヒドロキシ-2,6,6-トリメチルシクロヘキサ-2-エン-1-イル]-3,7,12,16-テトラメチルオクタデカ-1,3,5,7,9,11,13,15,17-ノナエン-1-イル]-3,5,5-トリメチルシクロヘキサ-2-エン-1-オール
  • (1S,4S)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4S)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-3,5,5-trimethylcyclohex-2-en-1-ol
Other name (1)：
  • (3S,3′S,6S,6′S)-ε,ε-Carotene-3,3′-diol
Thsaurus map：
Thesaurus Map

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