Chem
J-GLOBAL ID：200907040156521746   Nikkaji number：J5.891B

Capsanthin

カプサンチン
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： C40H56O3
Molecular formula furigana： C40-H56-O3
Molecular weight： 584.885
InChI： InChI=1S/C40H56O3/c1-29(17-13-19-31(3)21-23-36-33(5)25-34(41)26-38(36,6)7)15-11-12-16-30(2)18-14-20-32(4)22-24-37(43)40(10)28-35(42)27-39(40,8)9/h11-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t34-,35+,40+/m1/s1
InChI key： VYIRVAXUEZSDNC-RDJLEWNRSA-N
SMILES： C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)C[C@@H](O)CC1(C)C)/C=C/C=C(\C)/C=C/C(=O)[C@]1(C)C[C@@H](O)CC1(C)C
Systematic name  (4)：
  • (3R,3′S,5′R)-3,3′-ジヒドロキシ-β,κ-カロテン-6′-オン
  • (3R,3′S)-3,3′-ジヒドロキシ-β,κ-カロテン-6′-オン
  • (2E,4E,6E,8E,10E,12E,14E,16E,18E)-1-[(1R,4S)-4-ヒドロキシ-1,2,2-トリメチルシクロペンチル]-19-[(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]-4,8,13,17-テトラメチルノナデカ-2,4,6,8,10,12,14,16,18-ノナエン-1-オン
  • (2E,4E,6E,8E,10E,12E,14E,16E,18E)-1-[(1R,4S)-4-hydroxy-1,2,2-trimethylcyclopentyl]-19-[(4R)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-4,8,13,17-tetramethylnonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one
Other name (6)：
  • カプサンチン
  • Capsanthin
  • (3R,3′S,5′R)-3,3′-Dihydroxy-β,κ-caroten-6′-one
  • all-trans-カプサンチン
  • all-trans-Capsanthin
Show all
CAS registry number： 465-42-9
KEGG COMPOUND： C08584
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