Analyte Name

13-Acetyl,12-Phenacetyl-Phorbol 20-Homovanillate

CAS Number

175796-50-6

Molecular Formula

C39 H44 O11

Molecular Weight

688.76

Accurate Mass

688.288

SMILES

COc1cc(CC(=O)OCC2=C[C@H]3[C@@H]4C(C)(C)[C@]4(OC(=O)C)[C@H](OC(=O)Cc5ccccc5)[C@@H](C)[C@]3(O)[C@@H]6C=C(C)C(=O)[C@@]6(O)C2)ccc1O

InChI

InChI=1S/C39H44O11/c1-21-14-30-37(45,34(21)44)19-26(20-48-31(42)18-25-12-13-28(41)29(16-25)47-6)15-27-33-36(4,5)39(33,50-23(3)40)35(22(2)38(27,30)46)49-32(43)17-24-10-8-7-9-11-24/h7-16,22,27,30,33,35,41,45-46H,17-20H2,1-6H3/t22-,27+,30-,33-,35-,37-,38-,39-/m1/s1

IUPAC

[(1S,2S,6R,10S,11R,13S,14R,15R)-13-acetyloxy-1,6-dihydroxy-8-[[2-(4-hydroxy-3-methoxyphenyl)acetyl]oxymethyl]-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] 2-phenylacetate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat