4alpha-Phorbol

4α-Phorbol · 4α-PHR · A-PHORBOL) · 4A-phorbol · ISOPHORBOL · 4-ALPHA-PHR · alpha-Phorbol · 4ALPHA-PHORBOL

Identifiers & Physical Properties

CAS No.	26241-63-4
Molecular formula	C20H28O6
Average molar mass	364.4 g/mol
SMILES	CC1=C[C@H]2[C@@]3(O)[C@H](C)[C@@H](O)[C@]4(O)[C@H]([C@@H]3C=C(CO)C[C@@]2(O)C1=O)C4(C)C
InChIKey	QGVLYPPODPLXMB-FYYCTCHMSA-N
PubChem CID	114708

XLogP	-0.8
Topological polar surface area	118
Hydrogen bond donors	5
Hydrogen bond acceptors	6
Rotatable bonds	1
Heavy atoms	26
Formal charge	0
Complexity	753
Boiling point	571.973±50.00 °C(Press: 760.00 Torr)(predicted)
Density	1.416±0.06 g/cm3(Temp: 25 °CPress: 760 Torr)(predicted)
Storage conditions	−20°C
Solubility	Acetonitrile: Slightly soluble: 0.1-1 mg/mlMethanol: Sparingly soluble: 1-10 mg/mlWater: Slightly soluble: 0.1-1 mg/ml
Physical state	powder
pKa (acidity coefficient)	11.359±0.70(predicted)
Color	white
GHS pictogram	GHS06
Signal word	Danger
GHS hazard statements	H300+H310+H330-H315-H319-H335
GHS precautionary statements	P260-P264-P280-P284-P301+P310-P302+P350
Hazard symbols	T+
Risk statements (R)	26/27/28-36/37/38
Safety statements (S)	26-27-36/37/39-45
UN transport number	UN 2811 6.1/PG 3
Water hazard class (WGK)	3
Hazard class	6.1(b)
Packing group	III

Water hazard class (WGK)	3
UN transport number	UN 2811 6.1/PG 3
Risk statements (R)	26/27/28-36/37/38
Signal word	Danger
GHS pictogram	GHS06
Hazard symbols	T+
Safety statements (S)	26-27-36/37/39-45
Hazard class	6.1(b)
Packing group	III
GHS hazard statements	H300+H310+H330-H315-H319-H335
GHS precautionary statements	P260-P264-P280-P284-P301+P310-P302+P350

4α-Phorbol is a compound that can be isolated from croton oil[1].