ChemSpider 2D Image | 2GU13C5298 | C29H38O9

2GU13C5298

  • Molecular FormulaC29H38O9
  • Average mass530.607 Da
  • Monoisotopic mass530.251587 Da
  • ChemSpider ID390450

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(1R,3aS,3bR,5aS,6aR,7aS,9R,11aR,12aR,13aR,13bS,15aR)-3a,11a-Dihydroxy-9,15a-dimethyl-11-oxo-1-(5-oxo-2,5-dihydro-3-furanyl)icosahydro-7aH,13aH-cyclopenta[7,8]phenanthro[2,3-b]pyrano[3,2-e][1,4]dioxin- 13a-carbaldehyd [German] [ACD/IUPAC Name]
(1R,3aS,3bR,5aS,6aR,7aS,9R,11aR,12aR,13aR,13bS,15aR)-3a,11a-Dihydroxy-9,15a-dimethyl-11-oxo-1-(5-oxo-2,5-dihydro-3-furanyl)icosahydro-7aH,13aH-cyclopenta[7,8]phenanthro[2,3-b]pyrano[3,2-e][1,4]dioxine -13a-carbaldehyde [ACD/IUPAC Name]
(1R,3aS,3bR,5aS,6aR,7aS,9R,11aR,12aR,13aR,13bS,15aR)-3a,11a-Dihydroxy-9,15a-diméthyl-11-oxo-1-(5-oxo-2,5-dihydro-3-furanyl)icosahydro-7aH,13aH-cyclopenta[7,8]phénanthro[2,3-b]pyrano[3,2-e][1,4]dioxine -13a-carbaldéhyde [French] [ACD/IUPAC Name]
(1R,3aS,3bR,5aS,6aR,7aS,9R,11aR,12aR,13aR,13bS,15aR)-3a,11a-dihydroxy-9,15a-dimethyl-11-oxo-1-(5-oxo-2,5-dihydrofuran-3-yl)icosahydro-7aH,13aH-cyclopenta[7,8]phenanthro[2,3-b]pyrano[3,2-e][1,4]dioxine-13a-carbaldehyde
2,14-Dihydroxy-19-oxo-3-[(tetrahydro-6-methyl-2,3-dioxo-2H-pyran-2-yl)oxy]card-20(22)-enolide
24321-47-9 [RN]
2GU13C5298
7aH,13aH-Cyclopenta[7,8]phenanthro[2,3-b]pyrano[3,2-e][1,4]dioxin-13a-carboxaldehyde, 1-(2,5-dihydro-5-oxo-3-furanyl)eicosahydro-3a,11a-dihydroxy-9,15a-dimethyl-11-oxo-, (1R,3aS,3bR,5aS,6aR,7aS,9R,11a R,12aR,13aR,13bS,15aR)- [ACD/Index Name]
7aH,13aH-cyclopenta[7,8]phenanthro[2,3-b]pyrano[3,2-e][1,4]dioxin-13a-carboxaldehyde, 1-(2,5-dihydro-5-oxo-3-furanyl)eicosahydro-3a,11a-dihydroxy-9,15a-dimethyl-11-oxo-, (1R,3aS,3bR,5aS,6aR,7aS,9R,11aR,12aR,13aR,13bS,15aR)-
uscharidin
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

C08883 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 727.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 121.2±6.0 kJ/mol
Flash Point: 239.9±26.4 °C
Index of Refraction: 1.621
Molar Refractivity: 133.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 3.18
ACD/LogD (pH 5.5): 2.54
ACD/BCF (pH 5.5): 49.96
ACD/KOC (pH 5.5): 572.09
ACD/LogD (pH 7.4): 2.53
ACD/BCF (pH 7.4): 49.56
ACD/KOC (pH 7.4): 567.54
Polar Surface Area: 129 Å2
Polarizability: 52.8±0.5 10-24cm3
Surface Tension: 64.2±3.0 dyne/cm
Molar Volume: 379.0±3.0 cm3

Click to predict properties on the Chemicalize site


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