Chem
J-GLOBAL ID：200907001799574639   Nikkaji number：J82.403H

Pseudokobusine

プソイドコブシン
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/c1-9-10-6-11-14-18-5-3-4-17(2)8-21(14)20(24,16(17)18)7-19(11,15(9)23)13(18)12(10)22/h10-16,22-24H,1,3-8H2,2H3/t10-,11-,12+,13+,14-,15-,16-,17+,18+,19?,20-/m1/s1
InChI key： VDBKGYFMEGDQHS-FWMZUPDRSA-N
SMILES： C[C@@]12CN3[C@@H]4[C@H]5C[C@H]6[C@H](O)[C@H]7[C@]4(CCC1)[C@@H]2[C@]3(O)C[C@]57[C@H](O)C6=C
Systematic name  (3)：
  • ヘチサン-6,11β,15β-トリオール
  • (1R,5R,8R,9S,11R,13R,14R,16R,17R,18S,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-13,16,19-トリオール
  • (1R,5R,8R,9S,11R,13R,14R,16R,17R,18S,19S)-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecane-13,16,19-triol
Other name (3)：
  • プソイドコブシン
  • Pseudokobusine
  • Hetisan-6,11β,15β-triol
CAS registry number： 27901-01-5
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