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4alpha-PMA

CAT: 0498-bs-75072CSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0498-bs-75072CSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
63597-44-4
Conjugation
Unconjugated
Purity
>98% (HPLC)
Buffer
Solid
Solubility
Soluble in DMSO, ehanol, methanol or ethyl acetate.
Smiles
[H][C@]12[C@]3([H])C=C(CO)C[C@@]4(O)C(=O)C(C)=C[C@@]4([H])[C@@]3(O)[C@H](C)[C@@H](OC(=O)CCCCCCCCCCCCC)[C@@]1(OC(C)=O)C2(C)C
Molecular Formula
C36H56O8
Molecular Weight
616.8
Storage Conditions
Stable for 2 years after receipt when stored at -20°C.
Appearance
White to off-white solid.

Chemical Information

4alpha-Phorbol 12-myristate 13-acetate

See also: 4-alpha-Phorbol 12-Myristate 13-Acetate (annotation moved to); Phorbol 12-myristate 13-acetate (annotation moved to).

CAS Number63597-44-4
PubChem CID122634
IUPAC Name[(1S,2S,6S,10S,11R,13S,14R,15R)-13-acetyloxy-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] tetradecanoate
Molecular FormulaC36H56O8
Molecular Weight616.8
XLogP6.5
Topological Polar Surface Area130
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count17
Heavy Atom Count44
Formal Charge0
Complexity1150
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
InChIKey
PHEDXBVPIONUQT-LQLWEASQSA-N
Chemical Structure
2D Structure
2D structure of 4alpha-Phorbol 12-myristate 13-acetate
CAS: 63597-44-4
CID: 122634
Formula: C36H56O8
MW: 616.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight616.8
XLogP36.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count17
Exact Mass616.39751874
Monoisotopic Mass616.39751874
Topological Polar Surface Area130 Ų
Heavy Atom Count44
Formal Charge0
Complexity1150
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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CatalogName
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