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CHEBI:30042 - taxa-4(20),11-dien-5α-yl acetate

ChEBI IDCHEBI:30042
ChEBI Nametaxa-4(20),11-dien-5α-yl acetate
Stars
ASCII Nametaxa-4(20),11-dien-5alpha-yl acetate
DefinitionA taxane diterpenoid that is taxane which contains double bounds at the 4-20 and 11-12 positions and which is substituted by an acetoxy group at the 5α position.
Secondary ChEBI IDsCHEBI:15204, CHEBI:29685, CHEBI:58626
Last Modified18 June 2013
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC22H34O2
Net Charge0
Average Mass330.512
Monoisotopic Mass330.25588
SMILES[H][C@]12CCC(C)=C(CC[C@]3(C)CC[C@H](OC(C)=O)C(=C)[C@@]3([H])C1)C2(C)C
InChIInChI=1S/C22H34O2/c1-14-7-8-17-13-19-15(2)20(24-16(3)23)10-12-22(19,6)11-9-18(14)21(17,4)5/h17,19-20H,2,7-13H2,1,3-6H3/t17-,19+,20-,22+/m0/s1
InChIKeyAPIZAZFFQBVSJA-ZJDLJICXSA-N
ChEBI Ontology
Outgoing Relation(s)
taxa-4(20),11-dien-5α-yl acetate (CHEBI:30042) is a acetate ester (CHEBI:47622)
taxa-4(20),11-dien-5α-yl acetate (CHEBI:30042) is a taxane diterpenoid (CHEBI:50367)
IUPAC Name 
(5α)-taxa-4(20),11-dien-5-yl acetate
Synonyms  Source
taxa-4(20),11-dien-5αyl acetateChEBI
taxa-4(20),11(12)-dien-5α-yl acetateLIPID MAPS
UniProt Name  Source
taxa-4(20),11-dien-5α-yl acetateUniProt
Manual XrefsDatabases
C11896KEGG COMPOUND
LMPR0104390004LIPID MAPS
TAXA-42011-DIEN-5-ALPHA-YL-ACETATEMetaCyc
Registry NumbersSources
CAS:214628-37-2KEGG COMPOUND