Chem
J-GLOBAL ID：200907053110870570   Nikkaji number：J221.691D

Dinoxanthin

ジノキサンチン
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： C42H58O5
Molecular formula furigana： C42-H58-O5
Molecular weight： 642.921
InChI： InChI=1S/C42H58O5/c1-30(18-14-20-32(3)22-23-37-38(6,7)28-36(46-34(5)43)29-40(37,10)45)16-12-13-17-31(2)19-15-21-33(4)24-25-42-39(8,9)26-35(44)27-41(42,11)47-42/h12-22,24-25,35-36,44-45H,26-29H2,1-11H3/b13-12+,18-14+,19-15+,25-24+,30-16+,31-17+,32-20+,33-21+/t23?,35-,36-,40+,41+,42-/m0/s1
InChI key： PVNVIBOWBAPFOE-CQZDCAQOSA-N
SMILES： CC(=O)O[C@H]1CC(C)(C)C(=C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/[C@@]23O[C@]2(C)C[C@@H](O)CC3(C)C)/C)/C)[C@](C)(O)C1
Systematic name  (3)：
  • (1S,4S,6R)-1-[(1E,3E,5E,7E,9E,11E,13E,15E)-18-[(1S,4S,6R)-2,2,6-トリメチル-4-アセトキシ-6-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-1,3,5,7,9,11,13,15,17-オクタデカノナエン-1-イル]-2,2,6-トリメチル-7-オキサビシクロ[4.1.0]ヘプタン-4-オール
  • (1S,3R)-3-ヒドロキシ-4-[(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,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-1,3,5,7,9,11,13,15,17-ノナエン-1-イリデン]-3,5,5-トリメチルシクロヘキシル アセタート
  • (1S,3R)-3-hydroxy-4-[(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-ylidene]-3,5,5-trimethylcyclohexyl acetate
Other name (3)：
  • Dinoxanthin
  • ジノキサンチン
  • (1S,4S,6R)-1-[(1E,3E,5E,7E,9E,11E,13E,15E)-18-[(1S,4S,6R)-2,2,6-Trimethyl-4-acetoxy-6-hydroxycyclohexan-1-ylidene]-3,7,12,16-tetramethyl-1,3,5,7,9,11,13,15,17-octadecanonen-1-yl]-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-4-ol
CAS registry number： 54369-12-9
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