ChemSpider 2D Image | (3alpha,7alpha,20S,23R,24R)-7-[(6-O-Acetyl-beta-D-glucopyranosyl)oxy]-23,24-dihydroxydammara-13(17),25-dien-3-yl acetate | C40H64O11

(3α,7α,20S,23R,24R)-7-[(6-O-Acetyl-β-D-glucopyranosyl)oxy]-23,24-dihydroxydammara-13(17),25-dien-3-yl acetate

  • Molecular FormulaC40H64O11
  • Average mass720.930 Da
  • Monoisotopic mass720.444885 Da
  • ChemSpider ID8780291

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

(3α,7α,20S,23R,24R)-7-[(6-O-Acetyl-β-D-glucopyranosyl)oxy]-23,24-dihydroxydammara-13(17),25-dien-3-yl acetate [ACD/IUPAC Name]
(3α,7α,20S,23R,24R)-7-[(6-O-Acetyl-β-D-glucopyranosyl)oxy]-23,24-dihydroxydammara-13(17),25-dien-3-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (3α,7α,20S,23R,24R)-7-[(6-O-acétyl-β-D-glucopyranosyl)oxy]-23,24-dihydroxydammara-13(17),25-dién-3-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (3α,7α,20S,23R,24R)-3-(acetyloxy)-23,24-dihydroxydammara-13(17),25-dien-7-yl, 6-acetate [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 787.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.2 mmHg at 25°C
Enthalpy of Vaporization: 130.6±6.0 kJ/mol
Flash Point: 230.0±26.4 °C
Index of Refraction: 1.564
Molar Refractivity: 190.7±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 4
ACD/LogP: 7.59
ACD/LogD (pH 5.5): 6.44
ACD/BCF (pH 5.5): 46035.93
ACD/KOC (pH 5.5): 75757.81
ACD/LogD (pH 7.4): 6.44
ACD/BCF (pH 7.4): 46035.52
ACD/KOC (pH 7.4): 75757.15
Polar Surface Area: 172 Å2
Polarizability: 75.6±0.5 10-24cm3
Surface Tension: 53.8±5.0 dyne/cm
Molar Volume: 586.4±5.0 cm3

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