Chem
J-GLOBAL ID：200907032882420484   Nikkaji number：J2.752.044H

16-Methoxy-2,3-dihydro-3-hydroxytabersonine

16-メトキシ-2,3-ジヒドロ-3-ヒドロキシタベルソニン
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： C22H28N2O4
Molecular formula furigana： C22-H28-N2-O4
Molecular weight： 384.476
InChI： InChI=1S/C22H28N2O4/c1-4-20-8-5-10-24-11-9-21(18(20)24)15-7-6-14(27-2)12-16(15)23-17(21)22(26,13-20)19(25)28-3/h5-8,12,17-18,23,26H,4,9-11,13H2,1-3H3/t17-,18+,20+,21+,22-/m1/s1
InChI key： MLIQIRKAHMVCDD-MMGCJVFTSA-N
SMILES： CC[C@@]12C[C@@](O)([C@@H]3Nc4cc(OC)ccc4[C@]43CCN(CC=C1)[C@@H]24)C(=O)OC
Systematic name  (3)：
  • (2β,5α,12β,19α)-3β-ヒドロキシ-6,7-ジデヒドロ-16-メトキシアスピドスペルミジン-3-カルボン酸メチル
  • メチル (1S,9R,10R,12R,19S)-12-エチル-10-ヒドロキシ-5-メトキシ-8,16-ジアザペンタシクロ[10.6.1.01,9.02,7.016,19]ノナデカ-2,4,6,13-テトラエン-10-カルボキシラート
  • methyl (1S,9R,10R,12R,19S)-12-ethyl-10-hydroxy-5-methoxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate
Other name (3)：
  • (2β,5α,12β,19α)-3β-Hydroxy-6,7-didehydro-16-methoxyaspidospermidine-3-carboxylic acid methyl ester
  • 16-Methoxy-2,3-dihydro-3-hydroxytabersonine
  • 16-メトキシ-2,3-ジヒドロ-3-ヒドロキシタベルソニン
KEGG COMPOUND： C04578
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