Chem
J-GLOBAL ID：201107052310587794   Nikkaji number：J2.936.097I

Pterisolic acid A

プテリソル酸A
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： C20H26O5
Molecular formula furigana： C20-H26-O5
Molecular weight： 346.423
InChI： InChI=1S/C20H26O5/c1-11-15(22)19-9-12(21)14-17(2,6-4-7-18(14,3)16(23)24)13(19)5-8-20(11,25)10-19/h5,12,14,21,25H,1,4,6-10H2,2-3H3,(H,23,24)/t12?,14-,17-,18+,19+,20-/m0/s1
InChI key： QHDAFFWLZDOSSY-WVKKUFNHSA-N
SMILES： C[C@]1(CCC[C@]2(C)[C@@H]1C(O)C[C@@]13C[C@@](O)(CC=C21)C(=C)C3=O)C(=O)O
Systematic name  (3)：
  • (13S)-15-オキソ-6,13-ジヒドロキシカウラ-9(11),16-ジエン-18-酸
  • (1R,4S,5R,9R,13S)-3,13-ジヒドロキシ-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)-3,13-dihydroxy-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-6,13-dihydroxykaura-9(11),16-diene-18-oic acid
  • プテリソル酸A
  • Pterisolic acid A
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