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Chemical structure of 4α-Phorbol 12-myristate 13-acetate

GC18535

4α-Phorbol 12-myristate 13-acetate

Also known as [(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

4α-Phorbol 12-myristate 13-acetate is an inactive form of TPA, and is used as a negative control for TPA-activated events

ChemicalCAS63597-44-4MW616.8FormulaC36H56O8
CAS number
63597-44-4
Molecular weight
616.8
Formula
C36H56O8
Solubility
DMSO： Soluble,Ethanol： Soluble,Methanol： Soluble
InChIKey
PHEDXBVPIONUQT-LQLWEASQSA-N
Catalogue number
GC18535
Brand
GLPBIO
Computed properties PubChem CID 122634 · XLogP 6.5 · TPSA 130 Ų · H-bond donors 3
XLogP
6.5
TPSA
130 Ų
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
17
Heavy atoms
44

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

Computed descriptors from PubChem (CID 122634), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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