Chem
J-GLOBAL ID：201107006510619729   Nikkaji number：J2.936.101K

Pterisolic acid E

プテリソル酸E
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： C20H30O5
Molecular formula furigana： C20-H30-O5
Molecular weight： 350.455
InChI： InChI=1S/C20H30O5/c1-11-12-9-19(15(11)22)8-5-14-17(2,16(23)24)6-4-7-18(14,3)20(19,25)10-13(12)21/h11-14,21,25H,4-10H2,1-3H3,(H,23,24)/t11-,12+,13?,14-,17-,18-,19+,20-/m1/s1
InChI key： IZIVAPRKBMMUKE-DOTLOXKUSA-N
SMILES： C[C@@H]1[C@@H]2C[C@@]3(CC[C@@H]4[C@@](C)(CCC[C@@]4(C)[C@]3(O)CC2O)C(=O)O)C1=O
Systematic name  (3)：
  • (13S)-15-オキソ-9,12-ジヒドロキシカウラン-18-酸
  • (1R,4S,5R,9R,10R,13S,14R)-10,12-ジヒドロキシ-5,9,14-トリメチル-15-オキソテトラシクロ[11.2.1.01,10.04,9]ヘキサデカン-5-カルボン酸
  • (1R,4S,5R,9R,10R,13S,14R)-10,12-dihydroxy-5,9,14-trimethyl-15-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
Other name (3)：
  • (13S)-15-Oxo-9,12-dihydroxykaurane-18-oic acid
  • プテリソル酸E
  • Pterisolic acid E
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