Chem
J-GLOBAL ID：200907028883376902   Nikkaji number：J277.884J

Eschscholtzxanthin

エッショルツキサンチン
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： C40H54O2
Molecular formula furigana： C40-H54-O2
Molecular weight： 566.870
InChI： InChI=1S/C40H54O2/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/h11-26,35-36,41-42H,27-28H2,1-10H3/b15-11+,16-12+,19-13+,20-14+,29-17+,30-18+,31-21+,32-22+,37-23?,38-24?/t35-,36-/m1/s1
InChI key： DHHWDJUUTBWANN-MHCYUSOGSA-N
SMILES： C/C(=C\C=C\C(=C\C=C1C(=C[C@@H](O)CC1(C)C)C)\C)/C=C/C=C/C(=C/C=C/C(=C/C=C1C(=C[C@@H](O)CC1(C)C)C)/C)/C
Systematic name  (3)：
  • (3S,3′S)-4′,5′-ジデヒドロ-4,5′-レトロ-β,β-カロテン-3,3′-ジオール
  • (1S)-4-[(2E,4E,6E,8E,10E,12E,14E,16E)-18-[(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-イリデン]-3,7,12,16-テトラメチルオクタデカ-2,4,6,8,10,12,14,16-オクタエン-1-イリデン]-3,5,5-トリメチルシクロヘキサ-2-エン-1-オール
  • (1S)-4-[(2E,4E,6E,8E,10E,12E,14E,16E)-18-[(4S)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-ylidene]-3,7,12,16-tetramethyloctadeca-2,4,6,8,10,12,14,16-octaen-1-ylidene]-3,5,5-trimethylcyclohex-2-en-1-ol
Other name (3)：
  • Eschscholtzxanthin
  • エッショルツキサンチン
  • (3S,3′S)-4′,5′-Didehydro-4,5′-retro-β,β-carotene-3,3′-diol
CAS registry number： 472-73-1
KEGG COMPOUND： C08593
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