Chem
J-GLOBAL ID：200907056739692380   Nikkaji number：J2.572.406B

Pterokaurane M3

プテロカウランM3
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： C20H34O4
Molecular formula furigana： C20-H34-O4
Molecular weight： 338.488
InChI： InChI=1S/C20H34O4/c1-17(2)7-13(22)8-18(3)15-5-4-12-6-19(15,9-14(23)16(17)18)10-20(12,24)11-21/h12-16,21-24H,4-11H2,1-3H3/t12-,13-,14-,15+,16-,18+,19-,20+/m1/s1
InChI key： KNCLQQIOJPEOIX-NHIWDXHTSA-N
SMILES： CC1(C)C[C@@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4C[C@]3(C[C@]4(O)CO)C[C@@H](O)[C@H]12
Systematic name  (3)：
  • カウラン-2β,6β,16α,17-テトラオール
  • (1R,3R,4R,7R,9S,10R,13R,14R)-14-(ヒドロキシメチル)-5,5,9-トリメチルテトラシクロ[11.2.1.01,10.04,9]ヘキサデカン-3,7,14-トリオール
  • (1R,3R,4R,7R,9S,10R,13R,14R)-14-(hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-3,7,14-triol
Other name (3)：
  • Kaurane-2β,6β,16α,17-tetraol
  • プテロカウランM3
  • Pterokaurane M3
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