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Chemical structure of Phorbol-12,13-didecanoate

GC75694

Phorbol-12,13-didecanoate

Also known as [(1S,2S,6R,10S,11R,13S,14R,15R)-13-decanoyloxy-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] decanoate

Phorbol-12,13-didecanoate is an anti-viral TPA compound and a tumor promoter

ChemicalCAS24928-17-4MW672.93FormulaC40H64O8
CAS number
24928-17-4
Molecular weight
672.93
Formula
C40H64O8
Solubility
DMSO： 100 mg/mL (148·60 mM; Need ultrasonic)
InChIKey
DGOSGFYDFDYMCW-MWRBZVGOSA-N
Catalogue number
GC75694
Brand
GLPBIO
Computed properties PubChem CID 452543 · XLogP 8.5 · TPSA 130 Ų · H-bond donors 3
XLogP
8.5
TPSA
130 Ų
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
21
Heavy atoms
48

SMILES CCCCCCCCCC(=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)CCCCCCCCC)O)C

Computed descriptors from PubChem (CID 452543), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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