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CHEBI:63731 - 9β-pimara-7,15-dien-19-oic acid

ChEBI IDCHEBI:63731
ChEBI Name9β-pimara-7,15-dien-19-oic acid
Stars
ASCII Name9beta-pimara-7,15-dien-19-oic acid
DefinitionA pimarane diterpenoid resulting from the oxidation of primary alcohol group of 9β-pimara-7,15-dien-19-ol to the corresponding carboxylic acid.
Last Modified24 January 2012
SubmitterGareth Owen
DownloadsMolfile
FormulaC20H30O2
Net Charge0
Average Mass302.458
Monoisotopic Mass302.22458
SMILES[H][C@@]12CC=C3C[C@](C)(C=C)CC[C@@]3([H])[C@@]1(C)CCC[C@]2(C)C(=O)O
InChIInChI=1S/C20H30O2/c1-5-18(2)12-9-15-14(13-18)7-8-16-19(15,3)10-6-11-20(16,4)17(21)22/h5,7,15-16H,1,6,8-13H2,2-4H3,(H,21,22)/t15-,16-,18-,19-,20+/m1/s1
InChIKeyMXYATHGRPJZBNA-BDUQCRIQSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
9β-pimara-7,15-dien-19-oic acid (CHEBI:63731) is a monocarboxylic acid (CHEBI:25384)
9β-pimara-7,15-dien-19-oic acid (CHEBI:63731) is a pimarane diterpenoid (CHEBI:49192)
9β-pimara-7,15-dien-19-oic acid (CHEBI:63731) is conjugate acid of 9β-pimara-7,15-dien-19-oate (CHEBI:63659)
Incoming Relation(s)
9β-pimara-7,15-dien-19-oate (CHEBI:63659) is conjugate base of 9β-pimara-7,15-dien-19-oic acid (CHEBI:63731)
IUPAC Name 
(9β)-pimara-7,15-dien-19-oic acid
Synonyms  Source
(1S,4aR,4bR,7R,10aR)-7-ethenyl-1,4a,7-trimethyl-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydrophenanthrene-1-carboxylic acidIUPAC
syn-pimaradien-19-oic acidChEBI
Citations