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J-GLOBAL ID：200907096839493514   Nikkaji number：J13.108C

Ajmalicin

アジュマリシン
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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： C21H24N2O3
Molecular formula furigana： C21-H24-N2-O3
Molecular weight： 352.434
InChI： InChI=1S/C21H24N2O3/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/h3-6,11-12,15-16,19,22H,7-10H2,1-2H3/t12-,15-,16+,19-/m0/s1
InChI key： GRTOGORTSDXSFK-XJTZBENFSA-N
SMILES： COC(=O)C1=CO[C@@H](C)[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12
Systematic name  (6)：
  • 16,17-ジデヒドロ-19α-メチル-18-オキサヨヒンバン-16-カルボン酸メチル
  • (-)-16,17-ジデヒドロ-19α-メチル-18-オキサヨヒンバン-16-カルボン酸メチル
  • 19α-メチル-16,17-ジデヒドロ-18-オキサヨヒンバン-16-カルボン酸メチル
  • (7aR)-8α-メチル-5,6,7aβ,8,11aα,12,12aα,13-オクタヒドロ-6a,13-ジアザ-9-オキサ-7H-インデノ[2,1-a]アントラセン-11-カルボン酸メチル
  • メチル (1S,15R,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),4,6,8,18-ペンタエン-19-カルボキシラート
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Other name (40)：
  • ロイバシン
  • ビンカイン
  • ビンセイン
  • δ-ヨヒンビン
  • (-)-アジュマリシン
Show all
CAS registry number： 483-04-5
Regulation number (2)：
  • AX7875000
  • EINECS2075895
KEGG DRUG： D08470
KEGG COMPOUND： C09024
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