ChemSpider 2D Image | rel-12-O-(4Z,7Z)-Deca-4,7-dienoylphorbol-13-acetate | C32H44O8

rel-12-O-(4Z,7Z)-Deca-4,7-dienoylphorbol-13-acetate

  • Molecular FormulaC32H44O8
  • Average mass556.687 Da
  • Monoisotopic mass556.303589 Da
  • ChemSpider ID28288256

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9a-Acetoxy-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-9-yl (4Z,7Z)-4,7-decadie noate [ACD/IUPAC Name]
(1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9a-Acetoxy-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-9-yl-(4Z,7Z)-4,7-decadie noat [German] [ACD/IUPAC Name]
(4Z,7Z)-4,7-Décadiénoate de (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9a-acétoxy-4a,7b-dihydroxy-3-(hydroxyméthyl)-1,1,6,8-tétraméthyl-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-décahydro-1H-cyclopropa[3,4]benzo[1,2-e]azu lén-9-yle [French] [ACD/IUPAC Name]
4,7-Decadienoic acid, (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen -9-yl ester, (4Z,7Z)- [ACD/Index Name]
rel-12-O-(4Z,7Z)-Deca-4,7-dienoylphorbol-13-acetate
12-O-(4Z,7Z)-deca-4,7-dienoylphorbol-13-acetate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 665.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 112.0±6.0 kJ/mol
Flash Point: 206.8±25.0 °C
Index of Refraction: 1.582
Molar Refractivity: 149.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 4.74
ACD/LogD (pH 5.5): 4.82
ACD/BCF (pH 5.5): 2729.98
ACD/KOC (pH 5.5): 10027.63
ACD/LogD (pH 7.4): 4.82
ACD/BCF (pH 7.4): 2729.59
ACD/KOC (pH 7.4): 10026.18
Polar Surface Area: 130 Å2
Polarizability: 59.3±0.5 10-24cm3
Surface Tension: 54.8±5.0 dyne/cm
Molar Volume: 448.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement