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CHEBI:17727 - phorbol 13-butanoate
| Formula | C24H34O7 |
| Net Charge | 0 |
| Average Mass | 434.529 |
| Monoisotopic Mass | 434.23045 |
| 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(=O)CCC)C(C)(C)[C@@]12[H] |
| InChI | InChI=1S/C24H34O7/c1-6-7-17(26)31-24-18(21(24,4)5)15-9-14(11-25)10-22(29)16(8-12(2)19(22)27)23(15,30)13(3)20(24)28/h8-9,13,15-16,18,20,25,28-30H,6-7,10-11H2,1-5H3/t13-,15+,16-,18-,20-,22-,23-,24-/m1/s1 |
| InChIKey | FZXHDWWEDNRATG-JUDMOCROSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| phorbol 13-butanoate (CHEBI:17727) is a butyrate ester (CHEBI:50477) |
| phorbol 13-butanoate (CHEBI:17727) is a phorbol ester (CHEBI:37532) |
| phorbol 13-butanoate (CHEBI:17727) is a tertiary α-hydroxy ketone (CHEBI:139592) |
| 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 butyrate |
| Synonym | Source |
|---|---|
| Phorbol 13-butanoate | KEGG COMPOUND |
| UniProt Name | Source |
|---|---|
| phorbol 13-butanoate | UniProt |