Chem
J-GLOBAL ID：200907005171791326   Nikkaji number：J13.194F

Kopsinine

コプシニン
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： C21H26N2O2
Molecular formula furigana： C21-H26-N2-O2
Molecular weight： 338.451
InChI： InChI=1S/C21H26N2O2/c1-25-17(24)15-13-19-7-4-11-23-12-10-20(18(19)23)14-5-2-3-6-16(14)22-21(15,20)9-8-19/h2-3,5-6,15,18,22H,4,7-13H2,1H3/t15-,18-,19+,20+,21+/m0/s1
InChI key： IYLRRIUNGGQRTN-NWRWZVFGSA-N
SMILES： COC(=O)[C@@H]1C[C@]23CCCN4CC[C@]5([C@H]24)c2ccccc2N[C@]15CC3
Systematic name  (3)：
  • (2α,5α)-アスピドフラクチニン-3β-カルボン酸メチル
  • メチル (1R,9R,16R,18R,21S)-2,12-ジアザヘキサシクロ[14.2.2.19,12.01,9.03,8.016,21]ヘンイコサ-3,5,7-トリエン-18-カルボキシラート
  • methyl (1R,9R,16R,18R,21S)-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3,5,7-triene-18-carboxylate
Other name (5)：
  • コプシニン
  • Kopsinine
  • (2α,5α)-Aspidofractinine-3β-carboxylic acid methyl ester
  • (-)-コプシニン
  • (-)-Kopsinine
CAS registry number： 559-51-3
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