ChemSpider 2D Image | 13,21-Dihydroeurycomanone | C20H26O9

13,21-Dihydroeurycomanone

  • Molecular FormulaC20H26O9
  • Average mass410.415 Da
  • Monoisotopic mass410.157684 Da
  • ChemSpider ID28288499

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(1β,12α,15β)-1,11,12,14,15-Pentahydroxy-11,20-epoxypicras-3-en-2,16-dion [German] [ACD/IUPAC Name]
(1β,12α,15β)-1,11,12,14,15-Pentahydroxy-11,20-epoxypicras-3-ene-2,16-dione [ACD/IUPAC Name]
(1β,12α,15β)-1,11,12,14,15-Pentahydroxy-11,20-époxypicras-3-ène-2,16-dione [French] [ACD/IUPAC Name]
129587-06-0 [RN]
13,21-Dihydroeurycomanone
Picras-3-ene-2,16-dione, 11,20-epoxy-1,11,12,14,15-pentahydroxy-, (1β,12α,15β)- [ACD/Index Name]
(1R,4R,5R,6S,7R,8R,11R,13S,17S,18S,19R)-4,5,7,8,17-pentahydroxy-6,14,18-trimethyl-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-ene-9,16-dione
13a,21-dihydroeurycomanone
Picras-3-ene-2,16-dione, 11,20-epoxy-1,11,12,14,15-pentahydroxy-, (1β,11β,12α,15β)-

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

Density: 1.6±0.1 g/cm3
Boiling Point: 654.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 110.4±6.0 kJ/mol
Flash Point: 233.3±25.0 °C
Index of Refraction: 1.670
Molar Refractivity: 95.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: -0.70
ACD/LogD (pH 5.5): -0.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.11
ACD/LogD (pH 7.4): -0.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.11
Polar Surface Area: 154 Å2
Polarizability: 37.8±0.5 10-24cm3
Surface Tension: 84.7±5.0 dyne/cm
Molar Volume: 255.3±5.0 cm3

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