Phorbol 12,13-Dibutyrate

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 395
Total Number of Articles : 607
PubChem 37783
Molecular Formula

C28H40O8

SMILES

CCCC(=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)CCC)O)C

InChI

InChI=1S/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

synonyms
  • Phorbol 12,13-dibutyrate
  • 37558-16-0
  • PDBU
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Properties
Property Value
MW 504.6 g/mol
HBD 3
HBA 8
Rotatable Bond Count 9
Exact Mass 504.27231823 g/mol
Monoisotopic Mass 504.27231823 g/mol
Heavy Atom Count 36
Isotope Atom Count 0
Atom Stereo Count 8
Covalent Unit Count 1
Complexity 1030
xlogp 2
Topological Polar Surface Area 130