Found 41 results

Search term: MF = 'C_{35}H_{50}O_{8}'
ChemSpider 2D Image | {[(4alpha,5alpha,9beta,16beta,22R,25R)-16-Acetoxy-22-hydroxy-4,14-dimethyl-3,23-dioxo-9,19-cycloergosta-1,24(28)-dien-26-yl]oxy}methyl acetate | C35H50O8

{[(4α,5α,9β,16β,22R,25R)-16-Acetoxy-22-hydroxy-4,14-dimethyl-3,23-dioxo-9,19-cycloergosta-1,24(28)-dien-26-yl]oxy}methyl acetate

  • Molecular FormulaC35H50O8
  • Average mass598.767 Da
  • Monoisotopic mass598.350586 Da
  • ChemSpider ID28488091

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

{[(4α,5α,9β,16β,22R,25R)-16-Acetoxy-22-hydroxy-4,14-dimethyl-3,23-dioxo-9,19-cycloergosta-1,24(28)-dien-26-yl]oxy}methyl acetate [ACD/IUPAC Name]
{[(4α,5α,9β,16β,22R,25R)-16-Acetoxy-22-hydroxy-4,14-dimethyl-3,23-dioxo-9,19-cycloergosta-1,24(28)-dien-26-yl]oxy}methyl-acetat [German] [ACD/IUPAC Name]
9,19-Cycloergosta-1,24(28)-diene-3,23-dione, 16-(acetyloxy)-26-[(acetyloxy)methoxy]-22-hydroxy-4,14-dimethyl-, (4α,5α,9β,16β,22R,25R)- [ACD/Index Name]
Acétate de {[(4α,5α,9β,16β,22R,25R)-16-acétoxy-22-hydroxy-4,14-diméthyl-3,23-dioxo-9,19-cycloergosta-1,24(28)-dién-26-yl]oxy}méthyle [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 683.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 114.7±6.0 kJ/mol
Flash Point: 207.5±25.0 °C
Index of Refraction: 1.551
Molar Refractivity: 160.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 5.05
ACD/LogD (pH 5.5): 4.81
ACD/BCF (pH 5.5): 2674.21
ACD/KOC (pH 5.5): 9880.56
ACD/LogD (pH 7.4): 4.81
ACD/BCF (pH 7.4): 2674.20
ACD/KOC (pH 7.4): 9880.52
Polar Surface Area: 116 Å2
Polarizability: 63.6±0.5 10-24cm3
Surface Tension: 48.2±5.0 dyne/cm
Molar Volume: 503.1±5.0 cm3

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