Chem
J-GLOBAL ID：200907015158631889   Nikkaji number：J753.587B

Capsanthin 3,6-epoxide

カプサンチン3,6-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(42)38(9)26-33(41)25-36(38,5)6)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)27-34(44-40)28-39(40,10)43/h11-24,33-34,41,43H,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： TWTPPPZIWNGQCQ-YNKJSWFTSA-N
SMILES： C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\[C@@]12O[C@@H](CC1(C)C)C[C@@]2(C)O)/C=C/C=C(\C)/C=C/C(=O)[C@]1(C)C[C@@H](O)CC1(C)C
Systematic name  (3)：
  • (3S,3′S,5R,6R)-3,6-エポキシ-5,6-ジヒドロ-3′,5-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-[(1R,2R,4S)-2-ヒドロキシ-2,6,6-トリメチル-7-オキサビシクロ[2.2.1]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,4S)-4-hydroxy-1,2,2-trimethylcyclopentyl]-19-[(1R,2R,4S)-2-hydroxy-2,6,6-trimethyl-7-oxabicyclo[2.2.1]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3,6-エポキシド
  • Capsanthin 3,6-epoxide
  • (3S,3′S,5R,6R)-3,6-Epoxy-5,6-dihydro-3′,5-dihydroxy-β,κ-caroten-6′-one
Thsaurus map：
Thesaurus Map

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