Chem
J-GLOBAL ID：200907090810635265   Nikkaji number：J221.694I

Fucoxanthinol

フコキサンチノール
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： C40H56O5
Molecular formula furigana： C40-H56-O5
Molecular weight： 616.883
InChI： InChI=1S/C40H56O5/c1-28(17-13-18-30(3)21-22-35-36(5,6)23-32(41)25-38(35,9)44)15-11-12-16-29(2)19-14-20-31(4)34(43)27-40-37(7,8)24-33(42)26-39(40,10)45-40/h11-21,32-33,41-42,44H,23-27H2,1-10H3/b12-11+,17-13+,19-14+,28-15+,29-16+,30-18+,31-20+/t22?,32-,33+,38-,39-,40-/m1/s1
InChI key： NZEPSBGUXWWWSI-NNPRBEIOSA-N
SMILES： C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C(=O)C[C@]12O[C@]1(C)C[C@@H](O)CC2(C)C)/C=C/C=C(\C)/C=C=C1C(C)(C)C[C@@H](O)C[C@@]1(C)O
Systematic name  (3)：
  • (3E,5E,7E,9E,11E,13E,15E)-1-[(1R,4S,6R)-2,2,6-トリメチル-4-ヒドロキシ-7-オキサビシクロ[4.1.0]ヘプタン-1-イル]-18-[(1S,2R,4R)-2,6,6-トリメチル-2,4-ジヒドロキシシクロヘキサン-1-イリデン]-3,7,12,16-テトラメチル-3,5,7,9,11,13,15,17-オクタデカオクタエン-2-オン
  • (3E,5E,7E,9E,11E,13E,15E)-18-[(2R,4R)-2,4-ジヒドロキシ-2,6,6-トリメチルシクロヘキシリデン]-1-[(1R,4S,6R)-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]-3,7,12,16-テトラメチルオクタデカ-3,5,7,9,11,13,15,17-オクタエン-2-オン
  • (3E,5E,7E,9E,11E,13E,15E)-18-[(2R,4R)-2,4-dihydroxy-2,6,6-trimethylcyclohexylidene]-1-[(1R,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-3,7,12,16-tetramethyloctadeca-3,5,7,9,11,13,15,17-octaen-2-one
Other name (4)：
  • フコキサンチノール
  • Fucoxanthinol
  • (3S,3′S,5R,5′R,6S,6′S)-6′,7′-ジデヒドロ-5,6-エポキシ-5,5′,6,6′,7,8-ヘキサヒドロ-3,3′,5′-トリヒドロキシ-8-オキソ-β,β-カロテン
  • (3E,5E,7E,9E,11E,13E,15E)-1-[(1R,4S,6R)-2,2,6-Trimethyl-4-hydroxy-7-oxabicyclo[4.1.0]heptan-1-yl]-18-[(1S,2R,4R)-2,6,6-trimethyl-2,4-dihydroxycyclohexan-1-ylidene]-3,7,12,16-tetramethyl-3,5,7,9,11,13,15,17-octadecaocten-2-one
CAS registry number： 7176-02-5
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