Chem
J-GLOBAL ID:200907049784770140   Nikkaji number:J1.395.720G

3β-Cyanocatharanthine

3β-シアノカタランチン
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: C22H23N3O2
Molecular formula furigana: C22-H23-N3-O2
Molecular weight: 361.445
InChI: InChI=1S/C22H23N3O2/c1-3-13-10-14-11-22(21(26)27-2)19-16(15-6-4-5-7-17(15)24-19)8-9-25(20(13)22)18(14)12-23/h4-7,10,14,18,20,24H,3,8-9,11H2,1-2H3/t14-,18-,20+,22-/m0/s1
InChI key: WVSGKIKOIAXKPW-NHRVCYDISA-N
SMILES: CCC1=C[C@H]2C[C@]3([C@@H]1N(CCc1c3[nH]c3ccccc13)[C@H]2C#N)C(=O)OC
Systematic name  (3):
  • (2α,5β,6α,18β,19R)-19-シアノ-3,4-ジデヒドロイボガミン-18-カルボン酸メチル
  • メチル (1R,14R,15R,18R)-14-シアノ-17-エチル-3,13-ジアザペンタシクロ[13.3.1.02,10.04,9.013,18]ノナデカ-2(10),4,6,8,16-ペンタエン-1-カルボキシラート
  • methyl (1R,14R,15R,18R)-14-cyano-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8,16-pentaene-1-carboxylate
Other name (3):
  • (2α,5β,6α,18β,19R)-19-Cyano-3,4-didehydroibogamine-18-carboxylic acid methyl ester
  • 3β-シアノカタランチン
  • 3β-Cyanocatharanthine
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