Chem
J-GLOBAL ID：200907093673385263   Nikkaji number：J342.370K

Aricine

アリシン
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： C22H26N2O4
Molecular formula furigana： C22-H26-N2-O4
Molecular weight： 382.460
InChI： InChI=1S/C22H26N2O4/c1-12-17-10-24-7-6-14-16-8-13(26-2)4-5-19(16)23-21(14)20(24)9-15(17)18(11-28-12)22(25)27-3/h4-5,8,11-12,15,17,20,23H,6-7,9-10H2,1-3H3/t12-,15-,17-,20-/m0/s1
InChI key： DTDADHMBRZKXSC-GKASHWOUSA-N
SMILES： COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CCc4c([nH]c5ccc(OC)cc45)[C@@H]3C[C@H]12
Systematic name  (4)：
  • (20α)-16,17-ジデヒドロ-10-メトキシ-19α-メチル-18-オキサヨヒンバン-16-カルボン酸メチル
  • (20α)-16,17-ジデヒドロ-10-メトキシ-16-(メトキシカルボニル)-19α-メチル-18-オキサヨヒンバン
  • メチル (1S,15S,16S,20S)-7-メトキシ-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
  • methyl (1S,15S,16S,20S)-7-methoxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate
Other name (8)：
  • Aricine
  • アリシン
  • (20α)-16,17-Didehydro-10-methoxy-19α-methyl-18-oxayohimban-16-carboxylic acid methyl ester
  • (20α)-16,17-Didehydro-10-methoxy-16-(methoxycarbonyl)-19α-methyl-18-oxayohimban
  • 10-メトキシテトラヒドロアルストニン
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CAS registry number： 482-91-7
KEGG COMPOUND： C09037
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