Chem
J-GLOBAL ID：200907094742591268   Nikkaji number：J2.420.538J

16-Hydroxy-17-chlorokaurane-18-oic acid

16-ヒドロキシ-17-クロロカウラン-18-酸
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： C20H31ClO3
Molecular formula furigana： C20-H31-CL-O3
Molecular weight： 354.920
InChI： InChI=1S/C20H31ClO3/c1-17-7-3-8-18(2,16(22)23)14(17)6-9-19-10-13(4-5-15(17)19)20(24,11-19)12-21/h13-15,24H,3-12H2,1-2H3,(H,22,23)/t13-,14+,15+,17-,18-,19+,20+/m1/s1
InChI key： FKBLYELYPLEOSQ-INIPNLRTSA-N
SMILES： C[C@@]12CCC[C@](C)([C@H]1CC[C@@]13C[C@@H](CC[C@@H]21)[C@@](O)(CCl)C3)C(=O)O
Systematic name  (3)：
  • 16-ヒドロキシ-17-クロロカウラン-18-酸
  • (1S,4S,5R,9S,10R,13R,14R)-14-(クロロメチル)-14-ヒドロキシ-5,9-ジメチルテトラシクロ[11.2.1.01,10.04,9]ヘキサデカン-5-カルボン酸
  • (1S,4S,5R,9S,10R,13R,14R)-14-(chloromethyl)-14-hydroxy-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
Other name (1)：
  • 16-Hydroxy-17-chlorokaurane-18-oic acid
Thsaurus map：
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