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CHEBI:181979 - 12b-O-[Deca-2Z,4E-dienoyl]-13a-isobutyl-5-ene-7-oxo-4b-phorbol
| Formula | C34H46O9 |
| Net Charge | 0 |
| Average Mass | 598.733 |
| Monoisotopic Mass | 598.31418 |
| SMILES | CCCCC/C=C/C=C\C(=O)O[C@@H]1[C@H](C)[C@@]2(O)C(C(=O)C(CO)=C[C@]3(O)C(=O)C(C)=CC23)C2C(C)(C)C21OC(=O)C(C)C |
| InChI | InChI=1S/C34H46O9/c1-8-9-10-11-12-13-14-15-24(36)42-29-21(5)33(41)23-16-20(4)28(38)32(23,40)17-22(18-35)26(37)25(33)27-31(6,7)34(27,29)43-30(39)19(2)3/h12-17,19,21,23,25,27,29,35,40-41H,8-11,18H2,1-7H3/b13-12+,15-14-/t21-,23?,25?,27?,29+,32+,33-,34?/m0/s1 |
| InChIKey | GOFSCWBZJWJLTF-STKJJOQCSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 12b-O-[Deca-2Z,4E-dienoyl]-13a-isobutyl-5-ene-7-oxo-4b-phorbol (CHEBI:181979) is a phorbol ester (CHEBI:37532) |
| IUPAC Name |
|---|
| [(1S,6R,14R,15S)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-13-(2-methylpropanoyloxy)-5,9-dioxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,7-dienyl] (2Z,4E)-deca-2,4-dienoate |