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CHEBI:45127 - phorbol 13-acetate

ChEBI IDCHEBI:45127
ChEBI Namephorbol 13-acetate
Stars
Secondary ChEBI IDsCHEBI:37538, CHEBI:45121
Last Modified13 September 2007
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC22H30O7
Net Charge0
Average Mass406.475
Monoisotopic Mass406.19915
SMILES[H][C@@]12C=C(C)C(=O)[C@@]1(O)CC(CO)=C[C@]1([H])[C@]2(O)[C@H](C)[C@@H](O)[C@@]2(OC(C)=O)C(C)(C)[C@@]12[H]
InChIInChI=1S/C22H30O7/c1-10-6-15-20(27,17(10)25)8-13(9-23)7-14-16-19(4,5)22(16,29-12(3)24)18(26)11(2)21(14,15)28/h6-7,11,14-16,18,23,26-28H,8-9H2,1-5H3/t11-,14+,15-,16-,18-,20-,21-,22-/m1/s1
InChIKeySDSVJYOOAPRSDA-RPCQODIISA-N
ChEBI Ontology
Outgoing Relation(s)
phorbol 13-acetate (CHEBI:45127) is a phorbol ester (CHEBI:37532)
IUPAC Name 
(1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-4a,7b,9-trihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulen-9a-yl acetate
Synonyms  Source
13-ACETYLPHORBOLPDBeChem
phorbol 13-monoacetateChemIDplus
phorbol-13-acetateChemIDplus
Manual XrefsDatabases
PRBPDBeChem
DB04376DrugBank
Registry NumbersSources
Beilstein:2342543Beilstein
CAS:32752-29-7ChemIDplus