ChemSpider 2D Image | (4aR,6aS,6bS,9aR)-8-(2-Furyl)-6b-glycoloyl-6a-methyl-3,4,4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-tetradecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one | C25H30O6

(4aR,6aS,6bS,9aR)-8-(2-Furyl)-6b-glycoloyl-6a-methyl-3,4,4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-tetradecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one

  • Molecular FormulaC25H30O6
  • Average mass426.502 Da
  • Monoisotopic mass426.204254 Da
  • ChemSpider ID23197902

  • defined stereocentres - 4 of 8 defined stereocentres

More details:

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

(4aR,6aS,6bS,9aR)-8-(2-Furyl)-6b-(2-hydroxyacétyl)-6a-méthyl-3,4,4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-tétradécahydro-2H-naphto[2',1':4,5]indéno[1,2-d][1,3]dioxol-2-one [French] [ACD/IUPAC Name]
(4aR,6aS,6bS,9aR)-8-(2-Furyl)-6b-glycoloyl-6a-methyl-3,4,4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-tetradecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-on [German] [ACD/IUPAC Name]
(4aR,6aS,6bS,9aR)-8-(2-Furyl)-6b-glycoloyl-6a-methyl-3,4,4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-tetradecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one [ACD/IUPAC Name]
(4aR,6aS,6bS,9aR)-8-(furan-2-yl)-6b-(hydroxyacetyl)-6a-methyl-3,4,4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-tetradecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one
2H-Naphth[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one, 8-(2-furanyl)-3,4,4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-tetradecahydro-6b-(2-hydroxyacetyl)-6a-methyl-, (4aR,6aS,6bS,9aR)- [ACD/Index Name]
(4aR,6aS,6bS,9aR)-8-Furan-2-yl-6b-(2-hydroxy-acetyl)-6a-methyl-3,4,4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-tetradecahydro-7,9-dioxa-pentaleno[2,1-a]phenanthren-2-one

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

Density: 1.3±0.1 g/cm3
Boiling Point: 605.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.6±3.0 kJ/mol
Flash Point: 319.8±31.5 °C
Index of Refraction: 1.606
Molar Refractivity: 111.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.15
ACD/LogD (pH 5.5): 3.65
ACD/BCF (pH 5.5): 350.84
ACD/KOC (pH 5.5): 2308.86
ACD/LogD (pH 7.4): 3.65
ACD/BCF (pH 7.4): 350.84
ACD/KOC (pH 7.4): 2308.85
Polar Surface Area: 86 Å2
Polarizability: 44.0±0.5 10-24cm3
Surface Tension: 57.1±5.0 dyne/cm
Molar Volume: 322.0±5.0 cm3

Click to predict properties on the Chemicalize site


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