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Phorbol 12,13-Dibutyrate

CAT: 0127-BIP1016-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0127-BIP1016-01Size:1 mg
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CAS Number
37558-16-0
Synonyms
PDBu
MDL Number
MFCD00036783
Purity
>99%
Smiles
CCCC(=O)O[C@@H]1[C@@H](C)[C@@]2(O)[C@@H](C=C(CO)C[C@@]3(O)[C@H]2C=C(C)C3=O)[C@@H]4C(C)(C)[C@]14OC(=O)CCC
Additionnal Information
Store at -20°C
Storage Conditions
Store at -20°C
Notes
Widely used PKC activator; less potent than PMA, but also less hydrophobic, making it easier to wash out of cells in tissue culture.

Chemical Information

Phorbol 12,13-Dibutyrate

Phorbol 12,13-dibutanoate is a tertiary alpha-hydroxy ketone, a phorbol ester and a butyrate ester.

CAS Number37558-16-0
PubChem CID37783
IUPAC Name[(1S,2S,6R,10S,11R,13S,14R,15R)-13-butanoyloxy-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] butanoate
Molecular FormulaC28H40O8
Molecular Weight504.6
XLogP2
Topological Polar Surface Area130
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Heavy Atom Count36
Formal Charge0
Complexity1030
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
InChIKey
BQJRUJTZSGYBEZ-YVQNUNKESA-N
Chemical Structure
2D Structure
2D structure of Phorbol 12,13-Dibutyrate
CAS: 37558-16-0
CID: 37783
Formula: C28H40O8
MW: 504.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight504.6
XLogP32
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Exact Mass504.27231823
Monoisotopic Mass504.27231823
Topological Polar Surface Area130 Ų
Heavy Atom Count36
Formal Charge0
Complexity1030
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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