Chem
J-GLOBAL ID：200907019714296321   Nikkaji number：J12.767A

Erythrophleguine

エリトロフレグイン
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： C25H39NO6
Molecular formula furigana： C25-H39-N-O6
Molecular weight： 449.588
InChI： InChI=1S/C25H39NO6/c1-15-16(14-18(27)32-13-12-26(4)5)8-9-17-19(15)20(28)21(29)22-24(17,2)10-7-11-25(22,3)23(30)31-6/h14-15,17,19,21-22,29H,7-13H2,1-6H3/b16-14+/t15-,17-,19-,21-,22+,24+,25-/m0/s1
InChI key： DFDLSTQZQLKKOB-KQYSUTHUSA-N
SMILES： COC(=O)[C@@]1(C)CCC[C@]2(C)[C@H]3CC/C(=C\C(=O)OCCN(C)C)/[C@H](C)[C@@H]3C(=O)[C@H](O)[C@@H]12
Systematic name  (3)：
  • (1S,4bα,7E,8aβ,10aα)-7-[2-[2-(ジメチルアミノ)エトキシ]-2-オキソエチリデン]テトラデカヒドロ-10α-ヒドロキシ-1,4aβ,8α-トリメチル-9-オキソ-1β-フェナントレンカルボン酸メチル
  • メチル (1S,4aR,4bS,7E,8R,8aS,10R,10aR)-7-{2-[2-(ジメチルアミノ)エトキシ]-2-オキソエチリデン}-10-ヒドロキシ-1,4a,8-トリメチル-9-オキソ-テトラデカヒドロフェナントレン-1-カルボキシラート
  • methyl (1S,4aR,4bS,7E,8R,8aS,10R,10aR)-7-{2-[2-(dimethylamino)ethoxy]-2-oxoethylidene}-10-hydroxy-1,4a,8-trimethyl-9-oxo-tetradecahydrophenanthrene-1-carboxylate
Other name (3)：
  • エリトロフレグイン
  • Erythrophleguine
  • (1S,4bα,7E,8aβ,10aα)-7-[2-[2-(Dimethylamino)ethoxy]-2-oxoethylidene]tetradecahydro-10α-hydroxy-1,4aβ,8α-trimethyl-9-oxo-1β-phenanthrenecarboxylic acid methyl ester
CAS registry number： 4829-28-1
KEGG COMPOUND： C08682
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