Found 84 results

Search term: MF = 'C_{42}H_{66}O_{14}'

ChemSpider 2D Image | 1-O-{(3beta)-3-[(6-Deoxy-beta-D-glucopyranosyl)oxy]-27-hydroxy-27,28-dioxours-12-en-28-yl}-beta-D-glucopyranose | C42H66O14

1-O-{(3β)-3-[(6-Deoxy-β-D-glucopyranosyl)oxy]-27-hydroxy-27,28-dioxours-12-en-28-yl}-β-D-glucopyranose

  • Molecular FormulaC42H66O14
  • Average mass794.965 Da
  • Monoisotopic mass794.445251 Da
  • ChemSpider ID23339856
  • defined stereocentres - 20 of 20 defined stereocentres


More details:






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

1-O-{(3β)-3-[(6-Deoxy-β-D-glucopyranosyl)oxy]-27-hydroxy-27,28-dioxours-12-en-28-yl}-β-D-glucopyranose [ACD/IUPAC Name]
1-O-{(3β)-3-[(6-Desoxy-β-D-glucopyranosyl)oxy]-27-hydroxy-27,28-dioxours-12-en-28-yl}-β-D-glucopyranose [German] [ACD/IUPAC Name]
1-O-{(3β)-3-[(6-Désoxy-β-D-glucopyranosyl)oxy]-27-hydroxy-27,28-dioxours-12-én-28-yl}-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, 1-O-[(3β)-3-[(6-deoxy-β-D-glucopyranosyl)oxy]-27-hydroxy-27,28-dioxours-12-en-28-yl]- [ACD/Index Name]
(1S,2R,4aS,6aR,6bR,8aR,10S,12aR,12bR,14bS)-1,2,6b,9,9,12a-hexamethyl-4a-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)carbonyl)-10-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yloxy)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-6a-carboxylic acid
[124727-10-2]
124727-10-2 [RN]
MFCD20274895
QUINOVIC ACID 3-O-(6-DEOXY-B-D-GLUCOPYRANOSIDE) 28-O-B-D-GLUCOPYRANOSYL ESTER
Quinovic acid 3-O-(6-deoxy-β-D-glucopyranoside) 28-O-β-D-glucopyranosyl ester
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 875.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 144.6±6.0 kJ/mol
Flash Point: 256.4±27.8 °C
Index of Refraction: 1.610
Molar Refractivity: 201.1±0.4 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 4
ACD/LogP: 7.08
ACD/LogD (pH 5.5): 4.06
ACD/BCF (pH 5.5): 345.05
ACD/KOC (pH 5.5): 967.77
ACD/LogD (pH 7.4): 2.28
ACD/BCF (pH 7.4): 5.80
ACD/KOC (pH 7.4): 16.27
Polar Surface Area: 233 Å2
Polarizability: 79.7±0.5 10-24cm3
Surface Tension: 68.2±5.0 dyne/cm
Molar Volume: 580.1±5.0 cm3

Click to predict properties on the Chemicalize site






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