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dehydroabietate

Go to external page http://purl.obolibrary.org/obo/CHEBI_58621

A monocarboxylic acid anion that is the conjugate base of dehydroabietic acid, obtained by deprotonation of the carboxy group.

Term info

Label

dehydroabietate

Synonyms
  • abieta-8,11,13-trien-18-oate
  • dehydroabietate
database cross reference
Subsets

3_STAR

IUPAC NAME
abieta-8,11,13-trien-18-oate [ IUPAC ]

charge

-1

formula

C20H27O2

has obo namespace

chebi_ontology

id

CHEBI:58621

inchi

InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/p-1/t17-,19-,20-/m1/s1

inchikey

NFWKVWVWBFBAOV-MISYRCLQSA-M

mass

299.42720

monoisotopicmass

299.20165

smiles

[H][C@@]12CCc3cc(ccc3[C@@]1(C)CCC[C@@]2(C)C([O-])=O)C(C)C