ChemSpider 2D Image | (3beta,5beta)-3-[(6-Deoxy-3-O-methyl-beta-D-galactopyranosyl)oxy]-8,14-epoxycarda-16,20(22)-dienolide | C30H42O8

(3β,5β)-3-[(6-Deoxy-3-O-methyl-β-D-galactopyranosyl)oxy]-8,14-epoxycarda-16,20(22)-dienolide

  • Molecular FormulaC30H42O8
  • Average mass530.650 Da
  • Monoisotopic mass530.287964 Da
  • ChemSpider ID33823558

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(3β,5β)-3-[(6-Deoxy-3-O-methyl-β-D-galactopyranosyl)oxy]-8,14-epoxycarda-16,20(22)-dienolide [ACD/IUPAC Name]
(3β,5β)-3-[(6-Desoxy-3-O-methyl-β-D-galactopyranosyl)oxy]-8,14-epoxycarda-16,20(22)-dienolid [German] [ACD/IUPAC Name]
(3β,5β)-3-[(6-Désoxy-3-O-méthyl-β-D-galactopyranosyl)oxy]-8,14-époxycarda-16,20(22)-diénolide [French] [ACD/IUPAC Name]
Carda-16,20(22)-dienolide, 3-[(6-deoxy-3-O-methyl-β-D-galactopyranosyl)oxy]-8,14-epoxy-, (3β,5β)- [ACD/Index Name]
[52628-62-3] [RN]
3-[(1S,3R,7R,10R,11S,14S,16R)-14-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-7,11-dimethyl-2-oxapentacyclo[8.8.0.01,3.03,7.011,16]octadec-5-en-6-yl]-2H-furan-5-one
52628-62-3 [RN]
Dehydroadynerigenin digitaloside
MFCD23103663

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

Density: 1.3±0.1 g/cm3
Boiling Point: 711.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 118.9±6.0 kJ/mol
Flash Point: 231.8±26.4 °C
Index of Refraction: 1.602
Molar Refractivity: 137.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 3.14
ACD/LogD (pH 5.5): 2.65
ACD/BCF (pH 5.5): 60.57
ACD/KOC (pH 5.5): 656.69
ACD/LogD (pH 7.4): 2.65
ACD/BCF (pH 7.4): 60.57
ACD/KOC (pH 7.4): 656.69
Polar Surface Area: 107 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 56.7±5.0 dyne/cm
Molar Volume: 401.9±5.0 cm3

Click to predict properties on the Chemicalize site


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