Chem
J-GLOBAL ID：200907058608877000   Nikkaji number：J2.236.911C

Corbiculaxanthin

コルビクラキサンチン
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： C40H56O4
Molecular formula furigana： C40-H56-O4
Molecular weight： 600.884
InChI： InChI=1S/C40H56O4/c1-28(17-13-19-30(3)21-23-34-32(5)37(43)35(42)27-38(34,6)7)15-11-12-16-29(2)18-14-20-31(4)22-24-36-39(8,9)25-33(41)26-40(36,10)44/h11-23,33,35,37,41-44H,25-27H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,28-15+,29-16+,30-19+,31-20+/t24?,33-,35-,37+,40+/m0/s1
InChI key： UWZLPMMHZRFPKY-AZYYESKLSA-N
SMILES： C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O)/C=C/C=C(\C)/C=C/C1=C(C)[C@@H](O)[C@@H](O)CC1(C)C
Systematic name  (3)：
  • (3S,3′S,4R,5′R,6′R)-6′,7′-ジデヒドロ-5′,6′-ジヒドロ-β,β-カロテン-3,3′,4,5′-テトラオール
  • (1S,2R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E)-18-[(2R,4S)-2,4-ジヒドロキシ-2,6,6-トリメチルシクロヘキシリデン]-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-3-エン-1,2-ジオール
  • (1S,2R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E)-18-[(2R,4S)-2,4-dihydroxy-2,6,6-trimethylcyclohexylidene]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-3,5,5-trimethylcyclohex-3-ene-1,2-diol
Other name (3)：
  • (3S,3′S,4R,5′R,6′R)-6′,7′-Didehydro-5′,6′-dihydro-β,β-carotene-3,3′,4,5′-tetraol
  • コルビクラキサンチン
  • Corbiculaxanthin
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