Chem
J-GLOBAL ID：200907042279913137   Nikkaji number：J39.970A

Capsanthin 5,6-epoxide

カプサンチン5,6-エポキシド
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/c1-29(17-13-19-31(3)21-22-35(43)38(9)27-33(41)25-36(38,5)6)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)26-34(42)28-39(40,10)44-40/h11-24,33-34,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t33?,34?,38-,39?,40?/m0/s1
InChI key： QAILMWKAKHIIHL-JYOOZCQFSA-N
SMILES： C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C12OC1(C)CC(O)CC2(C)C)/C=C/C=C(\C)/C=C/C(=O)[C@]1(C)CC(O)CC1(C)C
Systematic name  (3)：
  • 5,6-エポキシ-5,6-ジヒドロ-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)-4-ヒドロキシ-1,2,2-トリメチルシクロペンチル]-19-{4-ヒドロキシ-2,2,6-トリメチル-7-オキサビシクロ[4.1.0]ヘプタン-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)-4-hydroxy-1,2,2-trimethylcyclopentyl]-19-{4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl}-4,8,13,17-tetramethylnonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one
Other name (3)：
  • カプサンチン5,6-エポキシド
  • Capsanthin 5,6-epoxide
  • 5,6-Epoxy-5,6-dihydro-3,3′-dihydroxy-β,κ-caroten-6′-one
CAS registry number： 29486-21-3
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