Chem
J-GLOBAL ID：200907003070610905   Nikkaji number：J12.963A

Pubescin

プベシン
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/c1-12-17-10-24-7-6-15-14-5-4-13(26-2)8-19(14)23-21(15)20(24)9-16(17)18(11-28-12)22(25)27-3/h4-5,8,11-12,16-17,20,23H,6-7,9-10H2,1-3H3/t12-,16-,17-,20-/m0/s1
InChI key： KXEMQEGRZWUKJS-RURTYGRKSA-N
SMILES： COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@@H]3C[C@H]12
Systematic name  (3)：
  • (20α)-16,17-ジデヒドロ-11-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
  • メチル (1S,15S,16S,20S)-6-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)-6-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 (7)：
  • プベシン
  • ラウバシニン
  • レセルピニン【C22アルカロイド】
  • Pubescin
  • Raubasinine
Show all
CAS registry number： 482-96-2
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