Chem
J-GLOBAL ID：201107098015257251   Nikkaji number：J2.936.098G

Pterisolic acid B

プテリソル酸B
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/c1-11-12-5-6-14-18(2)7-4-8-19(3,17(23)24)15(18)13(21)10-20(14,9-12)16(11)22/h6,12-13,15,21H,1,4-5,7-10H2,2-3H3,(H,23,24)/t12-,13?,15-,18-,19+,20-/m0/s1
InChI key： CSODFCSZYDJPLH-OWECWMTMSA-N
SMILES： C[C@]1(CCC[C@]2(C)[C@@H]1C(O)C[C@@]13C[C@H](CC=C21)C(=C)C3=O)C(=O)O
Systematic name  (3)：
  • (13S)-15-オキソ-6-ヒドロキシカウラ-9(11),16-ジエン-18-酸
  • (1S,4S,5R,9R,13S)-3-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
  • (1S,4S,5R,9R,13S)-3-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-6-hydroxykaura-9(11),16-diene-18-oic acid
  • プテリソル酸B
  • Pterisolic acid B
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