phorbol 12,13-dibutanoate

Phorbol 12,13-Dibutyrate A phorbol ester found in CROTON OIL which, in addition to being a potent skin tumor promoter, is also an effective activator of calcium-activated, phospholipid-dependent protein kinase (protein kinase C). Due to its activation of this enzyme, phorbol 12,13-dibutyrate profoundly affects many different biological systems.

Molecular Formula: C₂₈H₄₀O₈

InChI: InChI=1/C28H40O8/c1-7-9-20(30)35-24-16(4)27(34)18(22-25(5,6)28(22,24)36-21(31)10-8-2)12-17(14-29)13-26(33)19(27)11-15(3)23(26)32/h11-12,16,18-19,22,24,29,33-34H,7-10,13-14H2,1-6H3/t16-,18+,19-,22-,24-,26-,27-,28-/m1/s1

InChIKey: InChIKey=BQJRUJTZSGYBEZ-YVQNUNKEBT
SMILES: [H][C@@]12C=C(CO)C[C@]3(O)C(=O)C(C)=C[C@@]3([H])[C@@]1(O)[C@H](C)[C@@H](OC(=O)CCC)[C@]4(OC(=O)CCC)[C@@]2([H])C4(C)C

Names:
    Butanoic acid, 1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-9ah-cyclopropa(3,4)benz(1,2-e)azulene-9,9a-diyl ester, (1aR-(1a-alpha,1b-beta,4a-beta,7a-alpha,7b-alpha,8-alpha,9-beta,9a-alpha))-
    NSC 622507
    PHORBOL 12,13-BUTYRATE
    phorbol 12,13-dibutanoate
    Phorbol 12,13-dibutanoate
    phorbol 12,13-dibutanoate
    Phorbol 12,13-dibutyrate
    Phorbol-12,13-dibutyrate
    37558-16-0

Registries:
    PubChem CID 37783
    ChEBI 17598
    Kegg C03532
    Kegg C03634
    PubChem ID 179094