ChemSpider 2D Image | (3beta,5alpha,6beta,7beta,11beta,16beta,22E)-3,6,7,11-Tetrahydroxyergost-22-en-16-yl acetate | C30H50O6

(3β,5α,6β,7β,11β,16β,22E)-3,6,7,11-Tetrahydroxyergost-22-en-16-yl acetate

  • Molecular FormulaC30H50O6
  • Average mass506.714 Da
  • Monoisotopic mass506.360748 Da
  • ChemSpider ID26339569

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 14 of 14 defined stereocentres

More details:

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

(3β,5α,6β,7β,11β,16β,22E)-3,6,7,11-Tetrahydroxyergost-22-en-16-yl acetate [ACD/IUPAC Name]
(3β,5α,6β,7β,11β,16β,22E)-3,6,7,11-Tetrahydroxyergost-22-en-16-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (3β,5α,6β,7β,11β,16β,22E)-3,6,7,11-tétrahydroxyergost-22-én-16-yle [French] [ACD/IUPAC Name]
Ergost-22-ene-3,6,7,11,16-pentol, 16-acetate, (3β,5α,6β,7β,11β,16β,22E)- [ACD/Index Name]
16β-acetoxy-3β,,6β,7β,11β-tetrahydroxy-5α-ergost-22E-diene
16β-acetoxy-5α-ergosta-22E-en-3β,,6β,7β,11β,tetraol
penicisteroid A

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

Density: 1.2±0.1 g/cm3
Boiling Point: 599.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 102.4±6.0 kJ/mol
Flash Point: 184.7±23.6 °C
Index of Refraction: 1.554
Molar Refractivity: 140.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.31
ACD/LogD (pH 5.5): 3.69
ACD/BCF (pH 5.5): 372.45
ACD/KOC (pH 5.5): 2409.75
ACD/LogD (pH 7.4): 3.69
ACD/BCF (pH 7.4): 372.45
ACD/KOC (pH 7.4): 2409.75
Polar Surface Area: 107 Å2
Polarizability: 55.7±0.5 10-24cm3
Surface Tension: 49.3±5.0 dyne/cm
Molar Volume: 438.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement