Chem
J-GLOBAL ID：201107080075813823   Nikkaji number：J2.936.099E

Pterisolic acid C

プテリソル酸C
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： C20H26O4
Molecular formula furigana： C20-H26-O4
Molecular weight： 330.424
InChI： InChI=1S/C20H26O4/c1-12-15(21)19-9-5-13-17(2,7-4-8-18(13,3)16(22)23)14(19)6-10-20(12,24)11-19/h6,13,24H,1,4-5,7-11H2,2-3H3,(H,22,23)/t13-,17+,18+,19+,20-/m0/s1
InChI key： MOEGAVNUGPZNDZ-OBHGLWADSA-N
SMILES： C[C@]1(CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@](O)(CC=C21)C(=C)C3=O)C(=O)O
Systematic name  (3)：
  • (13S)-15-オキソ-13-ヒドロキシカウラ-9(11),16-ジエン-18-酸
  • (1R,4S,5R,9R,13S)-13-ヒドロキシ-5,9-ジメチル-14-メチリデン-15-オキソテトラシクロ[11.2.1.01,10.04,9]ヘキサデカ-10-エン-5-カルボン酸
  • (1R,4S,5R,9R,13S)-13-hydroxy-5,9-dimethyl-14-methylidene-15-oxotetracyclo[11.2.1.01,10.04,9]hexadec-10-ene-5-carboxylic acid
Other name (3)：
  • (13S)-15-Oxo-13-hydroxykaura-9(11),16-diene-18-oic acid
  • プテリソル酸C
  • Pterisolic acid C
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