Chem
J-GLOBAL ID：201107088406845977   Nikkaji number：J2.929.574C

Andranginine

アンドランギニン
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： C21H22N2O2
Molecular formula furigana： C21-H22-N2-O2
Molecular weight： 334.419
InChI： InChI=1S/C21H22N2O2/c1-25-20(24)21-11-4-6-14-7-5-12-23(19(14)21)13-10-16-15-8-2-3-9-17(15)22-18(16)21/h2-3,5-9,19,22H,4,10-13H2,1H3/t19?,21-/m1/s1
InChI key： UIYPJGBLADKALM-VGAJERRHSA-N
SMILES： COC(=O)[C@]12CCC=C3C=CCN(CCc4c1[nH]c1ccccc41)C23
Systematic name  (3)：
  • (14bS)-1,2,9,14,14b,14c-ヘキサヒドロ-6H,8H-インドロ[3,2-d]ピリド[3,2,1-jk][1]ベンゾアゼピン-14b-カルボン酸メチル
  • メチル (1S)-3,13-ジアザペンタシクロ[11.7.1.02,10.04,9.017,21]ヘンイコサ-2(10),4,6,8,15,17-ヘキサエン-1-カルボキシラート
  • methyl (1S)-3,13-diazapentacyclo[11.7.1.02,10.04,9.017,21]henicosa-2(10),4,6,8,15,17-hexaene-1-carboxylate
Other name (3)：
  • (14bS)-1,2,9,14,14b,14c-Hexahydro-6H,8H-indolo[3,2-d]pyrido[3,2,1-jk][1]benzoazepine-14b-carboxylic acid methyl ester
  • アンドランギニン
  • Andranginine
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