Chem
J-GLOBAL ID：200907099836241033   Nikkaji number：J1.730.407K

Dinochrome A

ジノクロームA
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/c1-29(18-14-19-31(3)22-23-37-40(8,9)27-35(46-33(5)43)28-41(37,10)45)16-12-13-17-30(2)20-15-21-32(4)36-24-38-39(6,7)25-34(44)26-42(38,11)47-36/h12-22,24,34-36,44-45H,25-28H2,1-11H3/b13-12+,18-14+,20-15+,29-16+,30-17+,31-19+,32-21+/t23?,34-,35-,36+,41+,42+/m0/s1
InChI key： KXMXJSVCINTGDB-USNMBHGSSA-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@@H]2O[C@]3(C)C[C@@H](O)CC(C)(C)C3=C2)/C)/C)[C@](C)(O)C1
Systematic name  (3)：
  • (3S,3′S,5R,5′R,6R,8′R)-3-アセトキシ-6,7-ジデヒドロ-5′,8′-エポキシ-5,5′,6,8′-テトラヒドロ-3′,5-ジヒドロキシ-β,β-カロテン
  • (1S,3R)-4-[(3E,5E,7E,9E,11E,13E,15E)-16-[(2R,6S,7aR)-6-ヒドロキシ-4,4,7a-トリメチル-2,4,5,6,7,7a-ヘキサヒドロ-1-ベンゾフラン-2-イル]-3,7,12-トリメチルヘプタデカ-1,3,5,7,9,11,13,15-オクタエン-1-イリデン]-3-ヒドロキシ-3,5,5-トリメチルシクロヘキシル アセタート
  • (1S,3R)-4-[(3E,5E,7E,9E,11E,13E,15E)-16-[(2R,6S,7aR)-6-hydroxy-4,4,7a-trimethyl-2,4,5,6,7,7a-hexahydro-1-benzofuran-2-yl]-3,7,12-trimethylheptadeca-1,3,5,7,9,11,13,15-octaen-1-ylidene]-3-hydroxy-3,5,5-trimethylcyclohexyl acetate
Other name (3)：
  • (3S,3′S,5R,5′R,6R,8′R)-3-Acetoxy-6,7-didehydro-5′,8′-epoxy-5,5′,6,8′-tetrahydro-3′,5-dihydroxy-β,β-carotene
  • ジノクロームA
  • Dinochrome A
Thsaurus map：
Thesaurus Map

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