ChemSpider 2D Image | (3alpha,7alpha,17alpha,20S,23R,24R)-7-[(6-O-Acetyl-beta-D-glucopyranosyl)oxy]-23,24-dihydroxydammara-12,25-dien-3-yl acetate | C40H64O11

(3α,7α,17α,20S,23R,24R)-7-[(6-O-Acetyl-β-D-glucopyranosyl)oxy]-23,24-dihydroxydammara-12,25-dien-3-yl acetate

  • Molecular FormulaC40H64O11
  • Average mass720.930 Da
  • Monoisotopic mass720.444885 Da
  • ChemSpider ID8970286

  • defined stereocentres - 16 of 16 defined stereocentres

More details:

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

(3α,7α,17α,20S,23R,24R)-7-[(6-O-Acetyl-β-D-glucopyranosyl)oxy]-23,24-dihydroxydammara-12,25-dien-3-yl acetate [ACD/IUPAC Name]
(3α,7α,17α,20S,23R,24R)-7-[(6-O-Acetyl-β-D-glucopyranosyl)oxy]-23,24-dihydroxydammara-12,25-dien-3-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (3α,7α,17α,20S,23R,24R)-7-[(6-O-acétyl-β-D-glucopyranosyl)oxy]-23,24-dihydroxydammara-12,25-dién-3-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (3α,7α,17α,20S,23R,24R)-3-(acetyloxy)-23,24-dihydroxydammara-12,25-dien-7-yl, 6-acetate [ACD/Index Name]
3-O-acetyl-3α,7α,24(S)-25-tetrahydroxy-20(S)-dammar-12,24-diene 7-O-β-D-(6'-O-acetyl)glucopyranoside

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

Density: 1.2±0.1 g/cm3
Boiling Point: 783.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.1 mmHg at 25°C
Enthalpy of Vaporization: 129.9±6.0 kJ/mol
Flash Point: 228.4±26.4 °C
Index of Refraction: 1.564
Molar Refractivity: 190.9±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 4
ACD/LogP: 7.37
ACD/LogD (pH 5.5): 6.07
ACD/BCF (pH 5.5): 24093.52
ACD/KOC (pH 5.5): 47659.52
ACD/LogD (pH 7.4): 6.07
ACD/BCF (pH 7.4): 24093.31
ACD/KOC (pH 7.4): 47659.11
Polar Surface Area: 172 Å2
Polarizability: 75.7±0.5 10-24cm3
Surface Tension: 53.7±5.0 dyne/cm
Molar Volume: 587.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement