Found 40 results

Search term: MF = 'C_{40}H_{66}O_{12}'
ChemSpider 2D Image | (3alpha,7alpha,17alpha,20S,23R,24S)-7-[(6-O-Acetyl-beta-D-glucopyranosyl)oxy]-24,25-dihydroxy-17,23-epoxydammaran-3-yl acetate | C40H66O12

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

  • Molecular FormulaC40H66O12
  • Average mass738.945 Da
  • Monoisotopic mass738.455444 Da
  • ChemSpider ID8231356

  • defined stereocentres - 17 of 17 defined stereocentres

More details:

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

(3α,7α,17α,20S,23R,24S)-7-[(6-O-Acetyl-β-D-glucopyranosyl)oxy]-24,25-dihydroxy-17,23-epoxydammaran-3-yl acetate [ACD/IUPAC Name]
(3α,7α,17α,20S,23R,24S)-7-[(6-O-Acetyl-β-D-glucopyranosyl)oxy]-24,25-dihydroxy-17,23-epoxydammaran-3-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (3α,7α,17α,20S,23R,24S)-7-[(6-O-acétyl-β-D-glucopyranosyl)oxy]-24,25-dihydroxy-17,23-époxydammaran-3-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (3α,7α,17α,20S,23R,24S)-3-(acetyloxy)-17,23-epoxy-24,25-dihydroxydammaran-7-yl, 6-acetate [ACD/Index Name]
3-O-acetyl-3α,7α,24(S),25-tetrahydroxy-17(R),23(R)-epoxy-20(S)-dammarane 7-O-β-D-(6'-O-acetyl)glucopyranoside
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL450542/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 789.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.2 mmHg at 25°C
Enthalpy of Vaporization: 130.8±6.0 kJ/mol
Flash Point: 229.9±26.4 °C
Index of Refraction: 1.566
Molar Refractivity: 191.4±0.4 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 4
ACD/LogP: 6.12
ACD/LogD (pH 5.5): 4.24
ACD/BCF (pH 5.5): 978.05
ACD/KOC (pH 5.5): 4809.50
ACD/LogD (pH 7.4): 4.24
ACD/BCF (pH 7.4): 978.04
ACD/KOC (pH 7.4): 4809.46
Polar Surface Area: 181 Å2
Polarizability: 75.9±0.5 10-24cm3
Surface Tension: 55.8±5.0 dyne/cm
Molar Volume: 586.8±5.0 cm3

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