ChemSpider 2D Image | (3beta,23S)-3-{[2-O-(beta-D-Glucopyranosyl)-beta-D-xylopyranosyl]oxy}-18-oxo-18,20-epoxylanosta-7,25-dien-23-yl acetate | C43H66O14

(3β,23S)-3-{[2-O-(β-D-Glucopyranosyl)-β-D-xylopyranosyl]oxy}-18-oxo-18,20-epoxylanosta-7,25-dien-23-yl acetate

  • Molecular FormulaC43H66O14
  • Average mass806.976 Da
  • Monoisotopic mass806.445251 Da
  • ChemSpider ID62233273
  • defined stereocentres - 18 of 18 defined stereocentres


More details:






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

(3β,23S)-3-{[2-O-(β-D-Glucopyranosyl)-β-D-xylopyranosyl]oxy}-18-oxo-18,20-epoxylanosta-7,25-dien-23-yl acetate [ACD/IUPAC Name]
(3β,23S)-3-{[2-O-(β-D-Glucopyranosyl)-β-D-xylopyranosyl]oxy}-18-oxo-18,20-epoxylanosta-7,25-dien-23-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (3β,23S)-3-{[2-O-(β-D-glucopyranosyl)-β-D-xylopyranosyl]oxy}-18-oxo-18,20-époxylanosta-7,25-dién-23-yle [French] [ACD/IUPAC Name]
Lanosta-7,25-dien-18-one, 23-(acetyloxy)-18,20-epoxy-3-[(2-O-β-D-glucopyranosyl-β-D-xylopyranosyl)oxy]-, (3β,23S)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 901.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 148.8±6.0 kJ/mol
Flash Point: 263.8±27.8 °C
Index of Refraction: 1.593
Molar Refractivity: 205.7±0.4 cm3
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 4.48
ACD/LogD (pH 5.5): 4.08
ACD/BCF (pH 5.5): 747.49
ACD/KOC (pH 5.5): 3967.62
ACD/LogD (pH 7.4): 4.08
ACD/BCF (pH 7.4): 747.49
ACD/KOC (pH 7.4): 3967.58
Polar Surface Area: 211 Å2
Polarizability: 81.6±0.5 10-24cm3
Surface Tension: 61.8±5.0 dyne/cm
Molar Volume: 607.4±5.0 cm3

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