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CHEBI:170129 - Ethyl abietate

ChEBI IDCHEBI:170129
ChEBI NameEthyl abietate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H34O2
Net Charge0
Average Mass330.512
Monoisotopic Mass330.25588
SMILES[H][C@@]12CC=C3C=C(C(C)C)CC[C@]3([H])[C@@]1(C)CCC[C@@]2(C)C(=O)OCC
InChIInChI=1S/C22H34O2/c1-6-24-20(23)22(5)13-7-12-21(4)18-10-8-16(15(2)3)14-17(18)9-11-19(21)22/h9,14-15,18-19H,6-8,10-13H2,1-5H3/t18-,19+,21+,22+/m0/s1
InChIKeyAGUBCDYYAKENKG-YVNJGZBMSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
HeLa cell (BTO:0000567) MetaboLights (MTBLS78)
HeLa cell;NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78)
Mus musculus (ncbitaxon:10090) Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78) Strain: C57BL/6J [EFO:0000606]
ChEBI Ontology
Outgoing Relation(s)
Ethyl abietate (CHEBI:170129) is a diterpenoid (CHEBI:23849)
IUPAC Name 
ethyl (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate
Manual XrefsDatabases
HMDB0032257HMDB
55128ChemSpider
Registry NumbersSources
CAS:631-71-0ChemIDplus