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CHEBI:8277 - podocarpic acid

ChEBI IDCHEBI:8277
ChEBI Namepodocarpic acid
Stars
DefinitionAn abietane diterpenoid lacking the isopropyl substituent with an aromatic C-ring and a hydroxy group at the 12-position.
Last Modified28 July 2014
DownloadsMolfile
FormulaC17H22O3
Net Charge0
Average Mass274.360
Monoisotopic Mass274.15689
SMILES[H][C@@]12CCc3ccc(O)cc3[C@@]1(C)CCC[C@]2(C)C(=O)O
InChIInChI=1S/C17H22O3/c1-16-8-3-9-17(2,15(19)20)14(16)7-5-11-4-6-12(18)10-13(11)16/h4,6,10,14,18H,3,5,7-9H2,1-2H3,(H,19,20)/t14-,16-,17+/m1/s1
InChIKeyVJILEYKNALCDDV-OIISXLGYSA-N
ChEBI Ontology
Outgoing Relation(s)
podocarpic acid (CHEBI:8277) has parent hydride podocarpane (CHEBI:36548)
podocarpic acid (CHEBI:8277) is a abietane diterpenoid (CHEBI:36762)
IUPAC Name 
12-hydroxypodocarpa-8,11,13-trien-16-oic acid
Synonyms  Source
Podocarpic acidKEGG COMPOUND
(1S,4aS,10aR)-6-hydroxy-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylic acidIUPAC
(1S,4aS,10aR)-1,2,3,4,4a,9,10,10a-octahydro-6-hydroxy-1,4a-dimethylphenanthrene-1-carboxylic acidChemIDplus
Manual XrefsDatabases
C09171KEGG COMPOUND
C00003474KNApSAcK
Registry NumbersSources
Reaxys:2220888Reaxys
CAS:5947-49-9KEGG COMPOUND
CAS:5947-49-9ChemIDplus