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abietic acid

Go to external page http://purl.obolibrary.org/obo/CHEBI_28987

An abietane diterpenoid that is abieta-7,13-diene substituted by a carboxy group at position 18.

Term info

Label

abietic acid

Synonyms
  • Abietic acid
  • abieta-7,13-dien-18-oic acid
database cross reference
Subsets

3_STAR

IUPAC NAME
abieta-7,13-dien-18-oic acid [ IUPAC ]

charge

0

formula

C20H30O2

has alternative id

CHEBI:22143, CHEBI:2363

has obo namespace

chebi_ontology

has related synonym

sylvic acid, 13-isopropylpodocarpa-7,13-dien-15-oic acid, (1R,4aR,10aR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,5,6,10,10a-decahydrophenanthrene-1-carboxylic acid, 7,13-abietadien-18-oic acid

id

CHEBI:28987

inchi

InChI=1S/C20H30O2/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/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22)/t16-,17+,19+,20+/m0/s1

inchikey

RSWGJHLUYNHPMX-ONCXSQPRSA-N

mass

302.45100

monoisotopicmass

302.22458

smiles

[H][C@]12CCC(=CC1=CC[C@@]1([H])[C@@](C)(CCC[C@]21C)C(O)=O)C(C)C