Found 1 result

Search term: JNXVGPYSMFODNL (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (3beta,5alpha,6alpha,11alpha,24xi)-3,5,19-Trihydroxy-9,11-epoxystigmast-7-en-6-yl acetate | C31H50O6

(3β,5α,6α,11α,24ξ)-3,5,19-Trihydroxy-9,11-epoxystigmast-7-en-6-yl acetate

  • Molecular FormulaC31H50O6
  • Average mass518.725 Da
  • Monoisotopic mass518.360718 Da
  • ChemSpider ID29213473

  • defined stereocentres - 10 of 11 defined stereocentres

More details:

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

(3β,5α,6α,11α,24ξ)-3,5,19-Trihydroxy-9,11-epoxystigmast-7-en-6-yl acetate [ACD/IUPAC Name]
(3β,5α,6α,11α,24ξ)-3,5,19-Trihydroxy-9,11-epoxystigmast-7-en-6-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (3β,5α,6α,11α,24ξ)-3,5,19-trihydroxy-9,11-époxystigmast-7-én-6-yle [French] [ACD/IUPAC Name]
Stigmast-7-ene-3,5,6,19-tetrol, 9,11-epoxy-, 6-acetate, (3β,5α,6α,11α,24ξ)- [ACD/Index Name]
dysideasterol E

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

Density: 1.2±0.1 g/cm3
Boiling Point: 619.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 105.3±6.0 kJ/mol
Flash Point: 191.8±25.0 °C
Index of Refraction: 1.561
Molar Refractivity: 143.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.03
ACD/LogD (pH 5.5): 5.51
ACD/BCF (pH 5.5): 9105.49
ACD/KOC (pH 5.5): 23749.77
ACD/LogD (pH 7.4): 5.51
ACD/BCF (pH 7.4): 9105.48
ACD/KOC (pH 7.4): 23749.75
Polar Surface Area: 100 Å2
Polarizability: 56.7±0.5 10-24cm3
Surface Tension: 49.9±5.0 dyne/cm
Molar Volume: 441.8±5.0 cm3

Click to predict properties on the Chemicalize site


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