Chem
J-GLOBAL ID：200907053730539742   Nikkaji number：J679.801B

Hetisine

ヘチシン
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： C20H27NO3
Molecular formula furigana： C20-H27-N-O3
Molecular weight： 329.440
InChI： InChI=1S/C20H27NO3/c1-8-3-19-6-10-15-18(2)4-9(22)5-20(15)16(19)14(24)11(8)13(23)12(19)17(20)21(10)7-18/h9-17,22-24H,1,3-7H2,2H3/t9-,10-,11-,12+,13-,14+,15+,16+,17+,18-,19-,20-/m0/s1
InChI key： PIWJSAMCEMZIDO-APRJJLODSA-N
SMILES： C[C@@]12CN3[C@H]4C[C@@]56CC(=C)[C@H]7[C@H](O)[C@@H]5[C@@H]3[C@@](C[C@@H](O)C1)([C@@H]24)[C@@H]6[C@@H]7O
Systematic name  (3)：
  • (13R)-ヘチサン-2α,11α,13-トリオール
  • (1S,3S,5R,8R,9S,10R,11R,14R,16S,17R,18R,19S)-5-メチル-12-メチリデン-7-アザヘプタシクロ[9.6.2.01,8.05,17.07,16.09,14.014,18]ノナデカン-3,10,19-トリオール
  • (1S,3S,5R,8R,9S,10R,11R,14R,16S,17R,18R,19S)-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecane-3,10,19-triol
Other name (3)：
  • ヘチシン
  • Hetisine
  • (13R)-Hetisan-2α,11α,13-triol
CAS registry number： 10089-23-3
KEGG COMPOUND： C08687
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