Chem
J-GLOBAL ID：200907033114886845   Nikkaji number：J900.962K

Capsanthone

カプサントン
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)21-23-36-33(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/h11-24,34,41H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t34-,40+/m1/s1
InChI key： RSVFJNWBMXVMGE-LXQXRHSASA-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)CC(=O)CC1(C)C
Systematic name  (3)：
  • (3R,5′R)-3-ヒドロキシ-β,κ-カロテン-3′,6′-ジオン
  • (3R)-3-[(2E,4E,6E,8E,10E,12E,14E,16E,18E)-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-ノナエノイル]-3,4,4-トリメチルシクロペンタン-1-オン
  • (3R)-3-[(2E,4E,6E,8E,10E,12E,14E,16E,18E)-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-nonaenoyl]-3,4,4-trimethylcyclopentan-1-one
Other name (5)：
  • カプサントン
  • Capsanthone
  • (3R,5′R)-3-Hydroxy-β,κ-carotene-3′,6′-dione
  • カプサンチン3′-ケトン
  • Capsanthin 3′-ketone
CAS registry number： 28368-01-6
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