Chem
J-GLOBAL ID：200907058915716227   Nikkaji number：J11.883D

Astaxanthin

アスタキサンチン
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： C40H52O4
Molecular formula furigana： C40-H52-O4
Molecular weight： 596.852
InChI： InChI=1S/C40H52O4/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-24,35-36,41-42H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,27-15+,28-16+,29-19+,30-20+/t35-,36-/m0/s1
InChI key： MQZIGYBFDRPAKN-UWFIBFSHSA-N
SMILES： C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)C(=O)[C@@H](O)CC1(C)C)/C=C/C=C(\C)/C=C/C1=C(C)C(=O)[C@@H](O)CC1(C)C
Systematic name  (3)：
  • (3S,3′S)-3,3′-ジヒドロキシ-β,β-カロテン-4,4′-ジオン
  • (6S)-6-ヒドロキシ-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-ヒドロキシ-2,6,6-トリメチル-3-オキソシクロヘキサ-1-エン-1-イル]-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]-2,4,4-トリメチルシクロヘキサ-2-エン-1-オン
  • (6S)-6-hydroxy-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethyl-3-oxocyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-2,4,4-trimethylcyclohex-2-en-1-one
Other name (12)：
  • アスタキサンチン
  • all-trans-アスタキサンチン
  • Astaxanthin
  • all-trans-Astaxanthin
  • (3S,3′S)-3,3′-Dihydroxy-β,β-carotene-4,4′-dione
Show all
CAS registry number： 472-61-7
Regulation number (1)：
  • EINECS2074514
KEGG COMPOUND： C08580
Application (1)：
plant growth regulator
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