ChemSpider 2D Image | (5beta,10alpha,16alpha,20S,23R,24S)-25-Hydroxy-3-oxo-16,23-epoxydammara-11,13(17)-dien-24-yl acetate | C32H48O5

(5β,10α,16α,20S,23R,24S)-25-Hydroxy-3-oxo-16,23-epoxydammara-11,13(17)-dien-24-yl acetate

  • Molecular FormulaC32H48O5
  • Average mass512.721 Da
  • Monoisotopic mass512.350159 Da
  • ChemSpider ID113601130

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(5β,10α,16α,20S,23R,24S)-25-Hydroxy-3-oxo-16,23-epoxydammara-11,13(17)-dien-24-yl acetate [ACD/IUPAC Name]
(5β,10α,16α,20S,23R,24S)-25-Hydroxy-3-oxo-16,23-epoxydammara-11,13(17)-dien-24-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (5β,10α,16α,20S,23R,24S)-25-hydroxy-3-oxo-16,23-époxydammara-11,13(17)-dién-24-yle [French] [ACD/IUPAC Name]
Dammara-11,13(17)-dien-3-one, 24-(acetyloxy)-16,23-epoxy-25-hydroxy-, (5β,10α,16α,20S,23R,24S)- [ACD/Index 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: 615.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 104.7±6.0 kJ/mol
Flash Point: 190.2±25.0 °C
Index of Refraction: 1.552
Molar Refractivity: 144.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 6.08
ACD/LogD (pH 5.5): 6.51
ACD/BCF (pH 5.5): 52398.50
ACD/KOC (pH 5.5): 83113.31
ACD/LogD (pH 7.4): 6.51
ACD/BCF (pH 7.4): 52398.50
ACD/KOC (pH 7.4): 83113.31
Polar Surface Area: 73 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 44.6±5.0 dyne/cm
Molar Volume: 452.5±5.0 cm3

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