Chem
J-GLOBAL ID：200907056294317860   Nikkaji number：J468.157F

11-Hydroxyyohimbine

11-ヒドロキシヨヒンビン
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： C21H26N2O4
Molecular formula furigana： C21-H26-N2-O4
Molecular weight： 370.449
InChI： InChI=1S/C21H26N2O4/c1-27-21(26)19-15-9-17-20-14(13-4-3-12(24)8-16(13)22-20)6-7-23(17)10-11(15)2-5-18(19)25/h3-4,8,11,15,17-19,22,24-25H,2,5-7,9-10H2,1H3/t11-,15-,17-,18-,19+/m0/s1
InChI key： MIUYYRGOYGWVDO-JHZUCGOESA-N
SMILES： COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5cc(O)ccc45)[C@@H]3C[C@H]12
Systematic name  (3)：
  • 11,17α-ジヒドロキシヨヒンバン-16α-カルボン酸メチル
  • メチル (1S,15R,18S,19R,20S)-6,18-ジヒドロキシ-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-テトラエン-19-カルボキシラート
  • methyl (1S,15R,18S,19R,20S)-6,18-dihydroxy-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8-tetraene-19-carboxylate
Other name (3)：
  • 11-ヒドロキシヨヒンビン
  • 11-Hydroxyyohimbine
  • 11,17α-Dihydroxyyohimban-16α-carboxylic acid methyl ester
CAS registry number： 140405-13-6
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