Chem
J-GLOBAL ID：200907049447748150   Nikkaji number：J12.205J

Mitraphylline

ミトラフィリン
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： C21H24N2O4
Molecular formula furigana： C21-H24-N2-O4
Molecular weight： 368.433
InChI： InChI=1S/C21H24N2O4/c1-12-14-10-23-8-7-21(16-5-3-4-6-17(16)22-20(21)25)18(23)9-13(14)15(11-27-12)19(24)26-2/h3-6,11-14,18H,7-10H2,1-2H3,(H,22,25)/t12-,13-,14+,18-,21+/m0/s1
InChI key： JMIAZDVHNCCPDM-DAFCLMLCSA-N
SMILES： COC(=O)C1=CO[C@@H](C)[C@H]2CN3CC[C@@]4([C@@H]3C[C@H]12)C(=O)Nc1ccccc41
Systematic name  (3)：
  • 19α-メチル-2-オキソホルモサナン-16-カルボン酸メチル
  • メチル (1'S,3R,4'aS,5'aS,10'aR)-1'-メチル-2-オキソ-1,1',2,4'a,5',5'a,7',8',10',10'a-デカヒドロスピロ[インドール-3,6'-ピラノ[3,4-f]インドリジン]-4'-カルボキシラート
  • methyl (1'S,3R,4'aS,5'aS,10'aR)-1'-methyl-2-oxo-1,1',2,4'a,5',5'a,7',8',10',10'a-decahydrospiro[indole-3,6'-pyrano[3,4-f]indolizine]-4'-carboxylate
Other name (5)：
  • ミトラフィリン
  • アジュマリシンオキシンドールB
  • Mitraphylline
  • Ajmalicine oxindole B
  • 19α-Methyl-2-oxoformosanan-16-carboxylic acid methyl ester
CAS registry number： 509-80-8
Regulation number (1)：
  • EINECS2081060
KEGG COMPOUND： C09227
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