ChemSpider 2D Image | Pentaerythritol tetraabietate | C85H124O8

Pentaerythritol tetraabietate

  • Molecular FormulaC85H124O8
  • Average mass1273.889 Da
  • Monoisotopic mass1272.929565 Da
  • ChemSpider ID144243

  • defined stereocentres - 16 of 16 defined stereocentres

More details:

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

127-23-1 [RN]
204-830-6 [EINECS]
3-[(18-Oxoabieta-7,13-dien-18-yl)oxy]-2,2-bis{[(18-oxoabieta-7,13-dien-18-yl)oxy]methyl}propyl abieta-7,13-dien-18-oate [ACD/IUPAC Name]
3-[(18-Oxoabieta-7,13-dien-18-yl)oxy]-2,2-bis{[(18-oxoabieta-7,13-dien-18-yl)oxy]methyl}propyl-abieta-7,13-dien-18-oat [German] [ACD/IUPAC Name]
Abiéta-7,13-dién-18-oate de 3-[(18-oxoabiéta-7,13-dién-18-yl)oxy]-2,2-bis{[(18-oxoabiéta-7,13-dién-18-yl)oxy]méthyl}propyle [French] [ACD/IUPAC Name]
Pentaerythritol tetraabietate
1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, 2,2-bis(((((1R,4aR,4bR,10aR)-1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenyl)carbonyl)oxy)methyl)-1,3-propanediyl ester, (1R,1'R,4aR,4'aR,4bR,4'bR,10aR,10'aR)-
1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, 2,2-bis((((1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenyl)carbonyl)oxy)methyl)-1,3-propanediyl ester, stereoisomer
Pentaerythrityl tetraabietate

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

VF71DNS70H [DBID]
UNII:VF71DNS70H [DBID]
UNII-VF71DNS70H [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.574
Molar Refractivity: 375.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 2
ACD/LogP: 27.03
ACD/LogD (pH 5.5): 25.87
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 25.87
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 105 Å2
Polarizability: 149.0±0.5 10-24cm3
Surface Tension: 47.9±5.0 dyne/cm
Molar Volume: 1139.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement