ChemSpider 2D Image | Methyl (2R,6R)-6-[(1R,2aS,5aS,6aR,10aS,12aR,12bR)-4,4,7,7,10a,12a,12b-heptamethyl-8,11-dioxo-2,2a,5a,6,6a,7,8,9,10,10a,11,12,12a,12b-tetradecahydro-1H-3,5-dioxaazuleno[7,8,1-mna]phenanthren-1-yl]-2-me thyl-4-oxoheptanoate | C34H50O7

Methyl (2R,6R)-6-[(1R,2aS,5aS,6aR,10aS,12aR,12bR)-4,4,7,7,10a,12a,12b-heptamethyl-8,11-dioxo-2,2a,5a,6,6a,7,8,9,10,10a,11,12,12a,12b-tetradecahydro-1H-3,5-dioxaazuleno[7,8,1-mna]phenanthren-1-yl]-2-me thyl-4-oxoheptanoate

  • Molecular FormulaC34H50O7
  • Average mass570.757 Da
  • Monoisotopic mass570.355652 Da
  • ChemSpider ID28484364

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(2R,6R)-6-[(1R,2aS,5aS,6aR,10aS,12aR,12bR)-4,4,7,7,10a,12a,12b-Heptaméthyl-8,11-dioxo-2,2a,5a,6,6a,7,8,9,10,10a,11,12,12a,12b-tétradécahydro-1H-3,5-dioxaazuléno[7,8,1-mna]phénanthrén-1-yl]-2-méthyl-4- oxoheptanoate de méthyle [French] [ACD/IUPAC Name]
1H-Benz[h]indeno[1,7,6-def][1,3]benzodioxepin-1-hexanoic acid, 2,2a,5a,6,6a,7,8,9,10,10a,11,12,12a,12b-tetradecahydro-α,ε,4,4,7,7,10a,12a,12b-nonamethyl-γ,8,11-trioxo-, methyl ester, (al ; phaR,εR,1R,2aS,5aS,6aR,10aS,12aR,12bR)- [ACD/Index Name]
Methyl (2R,6R)-6-[(1R,2aS,5aS,6aR,10aS,12aR,12bR)-4,4,7,7,10a,12a,12b-heptamethyl-8,11-dioxo-2,2a,5a,6,6a,7,8,9,10,10a,11,12,12a,12b-tetradecahydro-1H-3,5-dioxaazuleno[7,8,1-mna]phenanthren-1-yl]-2-me thyl-4-oxoheptanoate [ACD/IUPAC Name]
Methyl-(2R,6R)-6-[(1R,2aS,5aS,6aR,10aS,12aR,12bR)-4,4,7,7,10a,12a,12b-heptamethyl-8,11-dioxo-2,2a,5a,6,6a,7,8,9,10,10a,11,12,12a,12b-tetradecahydro-1H-3,5-dioxaazuleno[7,8,1-mna]phenanthren-1-yl]-2-me thyl-4-oxoheptanoat [German] [ACD/IUPAC Name]
methyl ganoderate A acetonide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 645.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.2±3.0 kJ/mol
Flash Point: 265.9±31.5 °C
Index of Refraction: 1.538
Molar Refractivity: 154.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.15
ACD/LogD (pH 5.5): 4.47
ACD/BCF (pH 5.5): 1464.86
ACD/KOC (pH 5.5): 6422.06
ACD/LogD (pH 7.4): 4.47
ACD/BCF (pH 7.4): 1464.86
ACD/KOC (pH 7.4): 6422.06
Polar Surface Area: 96 Å2
Polarizability: 61.2±0.5 10-24cm3
Surface Tension: 44.6±5.0 dyne/cm
Molar Volume: 493.6±5.0 cm3

Click to predict properties on the Chemicalize site


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