Found 303 results

Search term: MF = 'C_{32}H_{50}O_{4}'
ChemSpider 2D Image | (5xi,9xi,13xi,17xi,18xi)-3-Acetoxylup-20(29)-en-28-oic acid | C32H50O4

(5ξ,9ξ,13ξ,17ξ,18ξ)-3-Acetoxylup-20(29)-en-28-oic acid

  • Molecular FormulaC32H50O4
  • Average mass498.737 Da
  • Monoisotopic mass498.370911 Da
  • ChemSpider ID21781504

  • defined stereocentres - 4 of 10 defined stereocentres

More details:

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

(5ξ,9ξ,13ξ,17ξ,18ξ)-3-Acetoxylup-20(29)-en-28-oic acid [ACD/IUPAC Name]
(5ξ,9ξ,13ξ,17ξ,18ξ)-3-Acetoxylup-20(29)-en-28-säure [German] [ACD/IUPAC Name]
Acide (5ξ,9ξ,13ξ,17ξ,18ξ)-3-acétoxylup-20(29)-én-28-oïque [French] [ACD/IUPAC Name]
Lup-20(29)-en-28-oic acid, 3-(acetyloxy)-, (5ξ,9ξ,13ξ,17ξ,18ξ)- [ACD/Index Name]
(1R,5AR,5BR,11AR)-9-ACETYLOXY-5A,5B,8,8,11A-PENTAMETHYL-1-PROP-1-EN-2-YL-1,2,3,4,5,6,7,7A,9,10,11,11B,12,13,13A,13B-HEXADECAHYDROCYCLOPENTA[A]CHRYSENE-3A-CARBOXYLIC ACID

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

Density: 1.1±0.1 g/cm3
Boiling Point: 561.1±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 92.2±6.0 kJ/mol
Flash Point: 169.1±18.9 °C
Index of Refraction: 1.540
Molar Refractivity: 143.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 9.84
ACD/LogD (pH 5.5): 7.88
ACD/BCF (pH 5.5): 338180.50
ACD/KOC (pH 5.5): 170018.78
ACD/LogD (pH 7.4): 6.07
ACD/BCF (pH 7.4): 5316.13
ACD/KOC (pH 7.4): 2672.66
Polar Surface Area: 64 Å2
Polarizability: 56.7±0.5 10-24cm3
Surface Tension: 43.1±5.0 dyne/cm
Molar Volume: 455.4±5.0 cm3

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