Tetradecanoylphorbol Acetate

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 4546
Total Number of Articles : 14486
PubChem 27924
Molecular Formula

C36H56O8

SMILES

CCCCCCCCCCCCCC(=O)O[C@@H]1[C@H]([C@]2([C@@H](C=C(C[C@]3([C@H]2C=C(C3=O)C)O)CO)[C@H]4[C@@]1(C4(C)C)OC(=O)C)O)C

InChI

InChI=1S/C36H56O8/c1-7-8-9-10-11-12-13-14-15-16-17-18-29(39)43-32-24(3)35(42)27(30-33(5,6)36(30,32)44-25(4)38)20-26(22-37)21-34(41)28(35)19-23(2)31(34)40/h19-20,24,27-28,30,32,37,41-42H,7-18,21-22H2,1-6H3/t24-,27+,28-,30-,32-,34-,35-,36-/m1/s1

synonyms
  • Phorbol 12-myristate 13-acetate
  • 16561-29-8
  • phorbol-12-myristate-13-acetate
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Properties
Property Value
MW 616.8 g/mol
HBD 3
HBA 8
Rotatable Bond Count 17
Exact Mass 616.39751874 g/mol
Monoisotopic Mass 616.39751874 g/mol
Heavy Atom Count 44
Isotope Atom Count 0
Atom Stereo Count 8
Covalent Unit Count 1
Complexity 1150
xlogp 6.5
Topological Polar Surface Area 130