ChemSpider 2D Image | (3beta,11alpha,13alpha)-3-Hydroxypimara-8(14),15-dien-11-yl acetate | C22H34O3

(3β,11α,13α)-3-Hydroxypimara-8(14),15-dien-11-yl acetate

  • Molecular FormulaC22H34O3
  • Average mass346.504 Da
  • Monoisotopic mass346.250793 Da
  • ChemSpider ID30828787

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(3β,11α,13α)-3-Hydroxypimara-8(14),15-dien-11-yl acetate [ACD/IUPAC Name]
(3β,11α,13α)-3-Hydroxypimara-8(14),15-dien-11-yl-acetat [German] [ACD/IUPAC Name]
2,5-Phenanthrenediol, 7-ethenyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,1,4a,7-tetramethyl-, 5-acetate, (2S,4aS,4bS,5R,7R,10aR)- [ACD/Index Name]
Acétate de (3β,11α,13α)-3-hydroxypimara-8(14),15-dién-11-yle [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 424.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 78.5±6.0 kJ/mol
Flash Point: 160.3±21.5 °C
Index of Refraction: 1.529
Molar Refractivity: 100.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.55
ACD/LogD (pH 5.5): 5.55
ACD/BCF (pH 5.5): 9712.78
ACD/KOC (pH 5.5): 24873.11
ACD/LogD (pH 7.4): 5.55
ACD/BCF (pH 7.4): 9712.78
ACD/KOC (pH 7.4): 24873.11
Polar Surface Area: 47 Å2
Polarizability: 39.9±0.5 10-24cm3
Surface Tension: 39.8±5.0 dyne/cm
Molar Volume: 326.2±5.0 cm3

Click to predict properties on the Chemicalize site


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