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CHEBI:182537 - 4,20-Dideoxyphorbol diester from Euphorbia

ChEBI IDCHEBI:182537
ChEBI Name4,20-Dideoxyphorbol diester from Euphorbia
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H38O7
Net Charge0
Average Mass498.616
Monoisotopic Mass498.26175
SMILES[H][C@@]12C=C(C)C(=O)[C@@]1([H])CC(C=O)=C[C@]1([H])[C@]2(O)[C@H](C)[C@@H](OC(=O)/C(C)=C/C)[C@@]2(OC(=O)C(C)C)C(C)(C)[C@@]12[H]
InChIInChI=1S/C29H38O7/c1-9-15(4)26(33)35-24-17(6)28(34)20-10-16(5)22(31)19(20)11-18(13-30)12-21(28)23-27(7,8)29(23,24)36-25(32)14(2)3/h9-10,12-14,17,19-21,23-24,34H,11H2,1-8H3/b15-9+/t17-,19+,20-,21+,23-,24-,28+,29-/m1/s1
InChIKeyOBNLKIYUNMSGTC-ZOTBZMMGSA-N
ChEBI Ontology
Outgoing Relation(s)
4,20-Dideoxyphorbol diester from Euphorbia (CHEBI:182537) is a diterpenoid (CHEBI:23849)
IUPAC Name 
[(1R,2R,6S,10S,11R,13S,14R,15R)-8-ormyl-1-hydroxy-4,12,12,15-tetramethyl-13-(2-methylpropanoyloxy)-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] (E)-2-methylbut-2-enoate
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