Chem
J-GLOBAL ID：200907012489047738   Nikkaji number：J332.267J

Alloxanthin

アロキサンチン
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： C40H52O2
Molecular formula furigana： C40-H52-O2
Molecular weight： 564.854
InChI： InChI=1S/C40H52O2/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/h11-20,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m1/s1
InChI key： DVICWXUADSCSLL-DDEWRDOISA-N
SMILES： C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C#CC1=C(C)C[C@@H](O)CC1(C)C)/C=C/C=C(\C)/C#CC1=C(C)C[C@@H](O)CC1(C)C
Systematic name  (3)：
  • (3R,3′R)-7,7′,8,8′-テトラデヒドロ-β,β-カロテン-3,3′-ジオール
  • (1R)-4-[(3E,5E,7E,9E,11E,13E,15E)-18-[(4R)-4-ヒドロキシ-2,6,6-トリメチルシクロヘキサ-1-エン-1-イル]-3,7,12,16-テトラメチルオクタデカ-3,5,7,9,11,13,15-ヘプタエン-1,17-ジイン-1-イル]-3,5,5-トリメチルシクロヘキサ-3-エン-1-オール
  • (1R)-4-[(3E,5E,7E,9E,11E,13E,15E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-3,5,7,9,11,13,15-heptaen-1,17-diyn-1-yl]-3,5,5-trimethylcyclohex-3-en-1-ol
Other name (9)：
  • アロキサンチン
  • Cynthiaxanthin
  • Alloxanthin
  • ペクテノキサンチン
  • シンチアキサンチン
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CAS registry number： 28380-31-6
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