Chem
J-GLOBAL ID：200907055789912113   Nikkaji number：J40.305I

Cuauchichicine

クアウキキシン
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： C22H33NO2
Molecular formula furigana： C22-H33-N-O2
Molecular weight： 343.511
InChI： InChI=1S/C22H33NO2/c1-14-15-4-5-17-21(12-15,18(14)24)9-6-16-20(2)7-3-8-22(16,17)19-23(13-20)10-11-25-19/h14-17,19H,3-13H2,1-2H3/t14-,15-,16-,17-,19+,20+,21-,22+/m1/s1
InChI key： BGZNEAVTIQGRHL-DHZZTMSNSA-N
SMILES： C[C@@H]1[C@H]2C[C@@]3(CC[C@@H]4[C@@]5(C)CCC[C@@]4([C@@H]4OCCN4C5)[C@@H]3CC2)C1=O
Systematic name  (3)：
  • (16β,20S)-15-デオキシ-16,17-ジヒドロ-15-オキソベアトキン
  • (1S,2S,5R,6R,8R,11R,12R,18S)-6,12-ジメチル-17-オキサ-14-アザヘキサシクロ[10.6.3.15,8.01,11.02,8.014,18]ドコサン-7-オン
  • (1S,2S,5R,6R,8R,11R,12R,18S)-6,12-dimethyl-17-oxa-14-azahexacyclo[10.6.3.15,8.01,11.02,8.014,18]docosan-7-one
Other name (3)：
  • クアウキキシン
  • Cuauchichicine
  • (16β,20S)-15-Deoxy-16,17-dihydro-15-oxoveatchine
CAS registry number： 545-60-8
KEGG COMPOUND： C08672
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