ChemSpider 2D Image | 12-deoxyphorbol-13-hexadecanoate | C36H58O6

12-deoxyphorbol-13-hexadecanoate

  • Molecular FormulaC36H58O6
  • Average mass586.842 Da
  • Monoisotopic mass586.423340 Da
  • ChemSpider ID285916

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(1aR,1bS,4aR,7aS,7bR,8R,9aS)-4a,7b-Dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulen-9a-yl palmitate [ACD/IUPAC Name]
(1aR,1bS,4aR,7aS,7bR,8R,9aS)-4a,7b-Dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulen-9a-ylpalmitat [German] [ACD/IUPAC Name]
12-deoxyphorbol-13-hexadecanoate
Hexadecanoic acid, (1aR,1bS,4aR,7aS,7bR,8R,9aS)-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-9aH-cyclopropa[3,4]benz[1,2-e]azulen-9a-yl ester [ACD/Index Name]
Palmitate de (1aR,1bS,4aR,7aS,7bR,8R,9aS)-4a,7b-dihydroxy-3-(hydroxyméthyl)-1,1,6,8-tétraméthyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-décahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulén-9a-yle [French] [ACD/IUPAC Name]
12-Deoxyphorbol 13-palmitate
66583-59-3 [RN]
Baliospermum axillare
PHORBOL,12-DEOXY- 13-PALMITATE B807430K057

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

NSC281268 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 685.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 114.9±6.0 kJ/mol
Flash Point: 204.4±25.0 °C
Index of Refraction: 1.550
Molar Refractivity: 166.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 9.28
ACD/LogD (pH 5.5): 9.29
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2707256.75
ACD/LogD (pH 7.4): 9.29
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2706992.25
Polar Surface Area: 104 Å2
Polarizability: 66.0±0.5 10-24cm3
Surface Tension: 48.8±5.0 dyne/cm
Molar Volume: 522.4±5.0 cm3

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