Chem
J-GLOBAL ID：200907089638794633   Nikkaji number：J2.572.404F

Pterokaurane M1

プテロカウランM1
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： C20H32O3
Molecular formula furigana： C20-H32-O3
Molecular weight： 320.473
InChI： InChI=1S/C20H32O3/c1-12-13-4-5-16-19(3)10-14(22)9-18(2,11-21)15(19)6-7-20(16,8-13)17(12)23/h13-17,21-23H,1,4-11H2,2-3H3/t13-,14-,15-,16+,17+,18-,19-,20-/m1/s1
InChI key： SLPJNFMUVKAIQK-QZUIZHQGSA-N
SMILES： C[C@]1(CO)C[C@@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4C[C@@]3(CC[C@H]12)[C@@H](O)C4=C
Systematic name  (3)：
  • カウラ-16-エン-2β,15α,19-トリオール
  • (1R,4S,5S,7S,9R,10S,13R,15S)-5-(ヒドロキシメチル)-5,9-ジメチル-14-メチリデンテトラシクロ[11.2.1.01,10.04,9]ヘキサデカン-7,15-ジオール
  • (1R,4S,5S,7S,9R,10S,13R,15S)-5-(hydroxymethyl)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-7,15-diol
Other name (3)：
  • Kaura-16-ene-2β,15α,19-triol
  • プテロカウランM1
  • Pterokaurane M1
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