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Chemical structure of Phorbol (4β-Phorbol)

GC32859

Phorbol (4β-Phorbol)

Also known as 1,6,13,14-tetrahydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyltetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dien-5-one

Phorbol (4β-Phorbol) is a highly toxic diterpene, whose esters have important biological properties

ChemicalCAS17673-25-5MW364.43FormulaC20H28O6
CAS number
17673-25-5
Molecular weight
364.43
Formula
C20H28O6
Solubility
DMSO : 66·67 mg/mL (182·94 mM);Water : ≥ 20 mg/mL (54·88 mM)
InChIKey
QGVLYPPODPLXMB-UHFFFAOYSA-N
Catalogue number
GC32859
Brand
GLPBIO
Computed properties PubChem CID 290670 · XLogP -0.8 · TPSA 118 Ų · H-bond donors 5
XLogP
-0.8
TPSA
118 Ų
H-bond donors
5
H-bond acceptors
6
Rotatable bonds
1
Heavy atoms
26

SMILES CC1C(C2(C(C2(C)C)C3C1(C4C=C(C(=O)C4(CC(=C3)CO)O)C)O)O)O

Computed descriptors from PubChem (CID 290670), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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