ChemSpider 2D Image | (8alpha,9beta,11beta,14beta,24R)-11-Hydroxy-3,16-dioxo-24,25-epoxydammar-13(17)-en-23-yl acetate | C32H48O6

(8α,9β,11β,14β,24R)-11-Hydroxy-3,16-dioxo-24,25-epoxydammar-13(17)-en-23-yl acetate

  • Molecular FormulaC32H48O6
  • Average mass528.720 Da
  • Monoisotopic mass528.345093 Da
  • ChemSpider ID24740944

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(1S,3R)-3-[(3aR,3bS,5aR,9aS,9bS,10S)-10-hydroxy-3a,3b,6,6,9a-pentamethyl-2,7-dioxo-3H,4H,5H,5aH,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-1-yl]-1-[(2R)-3,3-dimethyloxiran-2-yl]butyl acetate
(8α,9β,11β,14β,24R)-11-Hydroxy-3,16-dioxo-24,25-epoxydammar-13(17)-en-23-yl acetate [ACD/IUPAC Name]
(8α,9β,11β,14β,24R)-11-Hydroxy-3,16-dioxo-24,25-epoxydammar-13(17)-en-23-yl-acetat [German] [ACD/IUPAC Name]
26575-93-9 [RN]
Acétate de (8α,9β,11β,14β,24R)-11-hydroxy-3,16-dioxo-24,25-époxydammar-13(17)-én-23-yle [French] [ACD/IUPAC Name]
Dammar-13(17)-ene-3,16-dione, 23-(acetyloxy)-24,25-epoxy-11-hydroxy-, (8α,9β,11β,14β,24R)- [ACD/Index Name]
(1S,3R)-1-((R)-3,3-dimethyloxiran-2-yl)-3-((5R,8S,9S,10S,11S,14R)-11-hydroxy-4,4,8,10,14-pentamethyl-3,16-dioxo-2,3,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)butyl acetate
[26575-93-9] [RN]
23-acetyl alisol c
23-O-Acetylalisol C
More...

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

Density: 1.2±0.1 g/cm3
Boiling Point: 624.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 106.1±6.0 kJ/mol
Flash Point: 192.9±25.0 °C
Index of Refraction: 1.548
Molar Refractivity: 144.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.60
ACD/LogD (pH 5.5): 4.48
ACD/BCF (pH 5.5): 1498.05
ACD/KOC (pH 5.5): 6525.88
ACD/LogD (pH 7.4): 4.48
ACD/BCF (pH 7.4): 1498.05
ACD/KOC (pH 7.4): 6525.88
Polar Surface Area: 93 Å2
Polarizability: 57.4±0.5 10-24cm3
Surface Tension: 45.9±5.0 dyne/cm
Molar Volume: 456.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement