Chem
J-GLOBAL ID：200907038649405724   Nikkaji number：J1.545.332J

Gobiusxanthin

ゴビウスキサンチン
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： C40H54O3
Molecular formula furigana： C40-H54-O3
Molecular weight： 582.869
InChI： InChI=1S/C40H54O3/c1-29(17-13-19-31(3)21-22-37-33(5)25-35(41)27-38(37,7)8)15-11-12-16-30(2)18-14-20-32(4)23-24-40(43)34(6)26-36(42)28-39(40,9)10/h11-20,23-24,26,35-36,41-43H,25,27-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20+/t35-,36-,40-/m1/s1
InChI key： HBQMPUHSZHRZGF-XRQKZETJSA-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=C/[C@@]1(O)C(=C[C@@H](O)CC1(C)C)C
Systematic name  (3)：
  • 7,8-ジデヒドロ-β,ε-カロテン-3β,3′β,6′-トリオール
  • (1S,4S)-1-[(1E,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-1,3,5,7,9,11,13,15-オクタエン-17-イン-1-イル]-2,6,6-トリメチルシクロヘキサ-2-エン-1,4-ジオール
  • (1S,4S)-1-[(1E,3E,5E,7E,9E,11E,13E,15E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15-octaen-17-yn-1-yl]-2,6,6-trimethylcyclohex-2-ene-1,4-diol
Other name (3)：
  • 7,8-Didehydro-β,ε-carotene-3β,3′β,6′-triol
  • ゴビウスキサンチン
  • Gobiusxanthin
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