Found 51 results

Search term: MF = 'C_{31}H_{40}O_{10}'
ChemSpider 2D Image | (1alpha,2alpha,3alpha,7alpha,11alpha,13alpha)-2,3-Diacetoxy-7,8,11-trihydroxy-14-oxopimar-15-en-1-yl benzoate | C31H40O10

(1α,2α,3α,7α,11α,13α)-2,3-Diacetoxy-7,8,11-trihydroxy-14-oxopimar-15-en-1-yl benzoate

  • Molecular FormulaC31H40O10
  • Average mass572.643 Da
  • Monoisotopic mass572.262146 Da
  • ChemSpider ID8252323

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1α,2α,3α,7α,11α,13α)-2,3-Diacetoxy-7,8,11-trihydroxy-14-oxopimar-15-en-1-yl benzoate [ACD/IUPAC Name]
(1α,2α,3α,7α,11α,13α)-2,3-Diacetoxy-7,8,11-trihydroxy-14-oxopimar-15-en-1-yl-benzoat [German] [ACD/IUPAC Name]
1(2H)-Phenanthrenone, 6,7-bis(acetyloxy)-5-(benzoyloxy)-2-ethenyldodecahydro-4,10,10a-trihydroxy-2,4b,8,8-tetramethyl-, (2R,4R,4aS,4bS,5R,6S,7S,8aS,10R,10aR)- [ACD/Index Name]
Benzoate de (1α,2α,3α,7α,11α,13α)-2,3-diacétoxy-7,8,11-trihydroxy-14-oxopimar-15-én-1-yle [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 646.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.2±3.0 kJ/mol
Flash Point: 200.6±25.0 °C
Index of Refraction: 1.581
Molar Refractivity: 146.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 4.34
ACD/LogD (pH 5.5): 4.20
ACD/BCF (pH 5.5): 912.25
ACD/KOC (pH 5.5): 4575.63
ACD/LogD (pH 7.4): 4.20
ACD/BCF (pH 7.4): 912.16
ACD/KOC (pH 7.4): 4575.15
Polar Surface Area: 157 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 57.7±5.0 dyne/cm
Molar Volume: 438.9±5.0 cm3

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