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CHEBI:69819 - 12-deoxyphorbol-13,20-diacetate

ChEBI IDCHEBI:69819
ChEBI Name12-deoxyphorbol-13,20-diacetate
Stars
DefinitionA natural product found in Euphorbia fischeriana.
Last Modified22 September 2014
DownloadsMolfile
FormulaC24H32O7
Net Charge0
Average Mass432.513
Monoisotopic Mass432.21480
SMILES[H][C@@]12C=C(C)C(=O)[C@@]1(O)CC(COC(C)=O)=C[C@]1([H])[C@]2(O)[C@H](C)C[C@@]2(OC(C)=O)C(C)(C)[C@@]12[H]
InChIInChI=1S/C24H32O7/c1-12-7-18-22(28,20(12)27)10-16(11-30-14(3)25)8-17-19-21(5,6)23(19,31-15(4)26)9-13(2)24(17,18)29/h7-8,13,17-19,28-29H,9-11H2,1-6H3/t13-,17+,18-,19-,22-,23+,24-/m1/s1
InChIKeyNFSCEXJSMYPVGG-BACQOSNCSA-N
Species of MetaboliteComponentSourceComments
Euphorbia fischeriana (ncbitaxon:1035560) whole plant (BTO:0001461) PubMed (21534540) 90% EtOH extract of dried and powdered plant
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
12-deoxyphorbol-13,20-diacetate (CHEBI:69819) has role metabolite (CHEBI:25212)
12-deoxyphorbol-13,20-diacetate (CHEBI:69819) is a phorbol ester (CHEBI:37532)
Synonym  Source
[(1aR,1bS,4aR,7aS,7bR,8R,9aS)-9a-Acetoxy-4a,7b-dihydroxy-1,1,6,8-tetramethyl-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-3-yl]methyl acetateChEBI
Citations