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CHEBI:52487 - dehydroabietadienal

Default Structure
ChEBI IDCHEBI:52487
ChEBI Namedehydroabietadienal
Stars
Last Modified13 November 2017
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC20H28O
Net Charge0
Average Mass284.443
Monoisotopic Mass284.21402
SMILES[H]C(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@@]12[H]
InChIInChI=1S/C20H28O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12-14,18H,5,7,9-11H2,1-4H3/t18-,19-,20+/m0/s1
InChIKeyYCLCHPWRGSDZKL-SLFFLAALSA-N
ChEBI Ontology
Outgoing Relation(s)
dehydroabietadienal (CHEBI:52487) is a abietane diterpenoid (CHEBI:36762)
dehydroabietadienal (CHEBI:52487) is a carbotricyclic compound (CHEBI:38032)
IUPAC Name 
abieta-8,11,13-trien-18-al
Synonyms  Source
DehydroabietalNIST Chemistry WebBook
Dehydroabietic aldehydeNIST Chemistry WebBook
DehydroabietinalNIST Chemistry WebBook
UniProt Name  Source
dehydroabietadienalUniProt
Registry NumbersSources
Beilstein:2218584Beilstein
CAS:13601-88-2NIST Chemistry WebBook