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CHEBI:234002 - taxa-4(20),11-diene-2α,5α,7β,9α,10β,13α-hexayl hexaacetate

ChEBI IDCHEBI:234002
ChEBI Nametaxa-4(20),11-diene-2α,5α,7β,9α,10β,13α-hexayl hexaacetate
Stars
ASCII Nametaxa-4(20),11-diene-2alpha,5alpha,7beta,9alpha,10beta,13alpha-hexayl hexaacetate
DefinitionPublished in doi:10.1039/C29690001282
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC32H44O12
Net Charge0
Average Mass620.692
Monoisotopic Mass620.28328
SMILES[H][C@]12C[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]3(C)[C@@H](OC(C)=O)C[C@H](OC(C)=O)C(=C)[C@@]3([H])[C@@H]1OC(C)=O)C2(C)C
InChIInChI=1S/C32H44O12/c1-14-23(39-16(3)33)12-22-28(42-19(6)36)27-15(2)24(40-17(4)34)13-25(41-18(5)35)32(27,11)30(44-21(8)38)29(43-20(7)37)26(14)31(22,9)10/h22-25,27-30H,2,12-13H2,1,3-11H3/t22-,23-,24-,25-,27-,28+,29+,30-,32+/m0/s1
InChIKeyVOUULHDFPJAWEH-KYYDYRBASA-N
ChEBI Ontology
Outgoing Relation(s)
taxa-4(20),11-diene-2α,5α,7β,9α,10β,13α-hexayl hexaacetate (CHEBI:234002) is a acetate ester (CHEBI:47622)
taxa-4(20),11-diene-2α,5α,7β,9α,10β,13α-hexayl hexaacetate (CHEBI:234002) is a tricyclic diterpenoid (CHEBI:79084)
Synonym  Source
taxadiene hexaacetateSUBMITTER
UniProt Name  Source
taxa-4(20),11-diene-2α,5α,7β,9α,10β,13α-hexayl hexaacetateUniProt
Citations