Chem
J-GLOBAL ID：200907057193958380   Nikkaji number：J18.738K

Cathenamine

カテナミン
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： C21H22N2O3
Molecular formula furigana： C21-H22-N2-O3
Molecular weight： 350.418
InChI： InChI=1S/C21H22N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-6,10-12,15,19,22H,7-9H2,1-2H3/t12-,15-,19-/m0/s1
InChI key： BXTHVTLKWJZGAA-ODYMNIRHSA-N
SMILES： COC(=O)C1=CO[C@@H](C)C2=CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12
Systematic name  (3)：
  • 16,17,20,21-テトラデヒドロ-19α-メチル-18-オキサヨヒンバン-16-カルボン酸メチル
  • メチル (1S,16S,20S)-16-メチル-17-オキサ-3,13-ジアザペンタシクロ[11.8.0.02,10.04,9.015,20]ヘンイコサ-2(10),4,6,8,14,18-ヘキサエン-19-カルボキシラート
  • methyl (1S,16S,20S)-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,14,18-hexaene-19-carboxylate
Other name (3)：
  • カテナミン
  • Cathenamine
  • 16,17,20,21-Tetradehydro-19α-methyl-18-oxayohimban-16-carboxylic acid methyl ester
CAS registry number： 63661-74-5
KEGG COMPOUND： C11680
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