Chem
J-GLOBAL ID：200907029340593608   Nikkaji number：J13.782K

Koumine

クミン
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： C20H22N2O
Molecular formula furigana： C20-H22-N2-O
Molecular weight： 306.409
InChI： InChI=1S/C20H22N2O/c1-3-19-11-22(2)16-9-20(19)13-6-4-5-7-15(13)21-18(20)17-8-14(19)12(16)10-23-17/h3-7,12,14,16-17H,1,8-11H2,2H3/t12-,14+,16-,17+,19-,20-/m0/s1
InChI key： VTLYEMHGPMGUOT-SQMWYMQWSA-N
SMILES： CN1C[C@@]2(C=C)[C@@H]3C[C@H]4OC[C@@H]3[C@@H]1C[C@@]12C4=Nc2ccccc12
Systematic name  (4)：
  • (3R)-2,7,19,20-テトラヒドロ-1,2,18,19-テトラデヒドロ-3,17-エポキシ-7α,20α-シクロボバサン
  • (3R)-1,2,18,19-テトラデヒドロ-3,17-エポキシ-7α,20α(2H,19H)-シクロボバサン
  • (1R,10S,12S,15S,16R,17S)-15-エテニル-13-メチル-19-オキサ-3,13-ジアザヘキサシクロ[14.3.1.02,10.04,9.010,15.012,17]イコサ-2,4,6,8-テトラエン
  • (1R,10S,12S,15S,16R,17S)-15-ethenyl-13-methyl-19-oxa-3,13-diazahexacyclo[14.3.1.02,10.04,9.010,15.012,17]icosa-2,4,6,8-tetraene
Other name (5)：
  • クミン
  • Koumine
  • (3R)-2,7,19,20-Tetrahydro-1,2,18,19-tetradehydro-3,17-epoxy-7α,20α-cyclovobasan
  • (3R)-1,2,18,19-Tetradehydro-3,17-epoxy-7α,20α(2H,19H)-cyclovobasan
  • コウミン
CAS registry number： 1358-76-5
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