Chem
J-GLOBAL ID：200907077897702439   Nikkaji number：J62.335K

Tabersonine

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： C21H24N2O2
Molecular formula furigana： C21-H24-N2-O2
Molecular weight： 336.435
InChI： InChI=1S/C21H24N2O2/c1-3-20-9-6-11-23-12-10-21(19(20)23)15-7-4-5-8-16(15)22-17(21)14(13-20)18(24)25-2/h4-9,19,22H,3,10-13H2,1-2H3/t19-,20-,21-/m0/s1
InChI key： FNGGIPWAZSFKCN-ACRUOGEOSA-N
SMILES： CC[C@@]12CC(=C3Nc4ccccc4[C@]43CCN(CC=C1)[C@@H]24)C(=O)OC
Systematic name  (3)：
  • (5α,12β,19α)-2,3,6,7-テトラデヒドロアスピドスペルミジン-3-カルボン酸メチル
  • メチル (1R,12R,19S)-12-エチル-8,16-ジアザペンタシクロ[10.6.1.01,9.02,7.016,19]ノナデカ-2,4,6,9,13-ペンタエン-10-カルボキシラート
  • methyl (1R,12R,19S)-12-ethyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,9,13-pentaene-10-carboxylate
Other name (5)：
  • (-)-タベルソニン
  • タベルソニン
  • Tabersonine
  • (-)-Tabersonine
  • (5α,12β,19α)-2,3,6,7-Tetradehydroaspidospermidine-3-carboxylic acid methyl ester
CAS registry number： 4429-63-4
Regulation number (2)：
  • CJ0150000
  • EINECS2246150
KEGG COMPOUND： C09244
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