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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name taxa-4(20),11-dien-5α-yl acetate
ChEBI ID CHEBI:30042
ChEBI ASCII Name taxa-4(20),11-dien-5alpha-yl acetate
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:15204, CHEBI:58626, CHEBI:29685
Supplier Information
Download Molfile XML SDF
Formula C22H34O2
Net Charge 0
Average Mass 330.50420
Monoisotopic Mass 330.256
InChI InChI=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
InChIKey APIZAZFFQBVSJA-ZJDLJICXSA-N
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
ChEBI Ontology
Outgoing 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 Sources
taxa-4(20),11(12)-dien-5α-yl acetate LIPID MAPS
taxa-4(20),11-dien-5α-yl acetate UniProt
taxa-4(20),11-dien-5αyl acetate ChEBI
Manual Xrefs Databases
C11896 KEGG COMPOUND
LMPR0104390004 LIPID MAPS
TAXA-42011-DIEN-5-ALPHA-YL-ACETATE MetaCyc
View more database links
Registry Number Type Source
214628-37-2 CAS Registry Number KEGG COMPOUND
Last Modified
18 June 2013