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CHEBI:182035 - 12b-O-[Octa-2Z,4E-dienoyl]-13_-isobutyroyloxy-4b-deoxyphorbol

ChEBI IDCHEBI:182035
ChEBI Name12b-O-[Octa-2Z,4E-dienoyl]-13_-isobutyroyloxy-4b-deoxyphorbol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H44O7
Net Charge0
Average Mass540.697
Monoisotopic Mass540.30870
SMILES[H][C@@]12C=C(C)C(=O)[C@@]1([H])CC(CO)=C[C@]1([H])[C@]2(O)[C@H](C)[C@@H](OC(=O)/C=C\C=C\CCC)[C@@]2(OC(=O)C(C)C)C(C)(C)[C@@]12[H]
InChIInChI=1S/C32H44O7/c1-8-9-10-11-12-13-25(34)38-28-20(5)31(37)23-14-19(4)26(35)22(23)15-21(17-33)16-24(31)27-30(6,7)32(27,28)39-29(36)18(2)3/h10-14,16,18,20,22-24,27-28,33,37H,8-9,15,17H2,1-7H3/b11-10+,13-12-/t20-,22+,23-,24+,27-,28-,31+,32-/m1/s1
InChIKeySVAPNKGLWRWWCI-GASJSDEUSA-N
ChEBI Ontology
Outgoing Relation(s)
12b-O-[Octa-2Z,4E-dienoyl]-13_-isobutyroyloxy-4b-deoxyphorbol (CHEBI:182035) is a diterpenoid (CHEBI:23849)
IUPAC Name 
[(1R,2R,6S,10S,11R,13S,14R,15R)-1-hydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-13-(2-methylpropanoyloxy)-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] (2Z,4E)-octa-2,4-dienoate
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90660935ChemSpider