phorbol 13-butanoate

Chemical Formula:

C₂₄H₃₄O₇

Molecular Weight:

434.528 Daltons

Monoisotopic Mass:

434.2304534461 Daltons

SMILES:

CCCC(=O)OC13(C(C)(C)[CH]1[CH]4(C=C(CO)CC2(O)(C(C(C)=C[CH]2C(O)(C(C(O)3)C)4)=O)))

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

Databases

MetaCyc: PHORBOL-13-BUTANOATE

PubChem (CID): 439882

ChEBI: 17727

KEGG: C03019

Seed: cpd01935

MetaNetX: MNXM5264