ChemSpider 2D Image | (3beta,4beta,5alpha,6alpha,11alpha,22R)-3,22-Dihydroxycholest-7-ene-4,6,11-triyl triacetate | C33H52O8

(3β,4β,5α,6α,11α,22R)-3,22-Dihydroxycholest-7-ene-4,6,11-triyl triacetate

  • Molecular FormulaC33H52O8
  • Average mass576.761 Da
  • Monoisotopic mass576.366211 Da
  • ChemSpider ID8658670

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(3β,4β,5α,6α,11α,22R)-3,22-Dihydroxycholest-7-en-4,6,11-triyl-triacetat [German] [ACD/IUPAC Name]
(3β,4β,5α,6α,11α,22R)-3,22-Dihydroxycholest-7-ene-4,6,11-triyl triacetate [ACD/IUPAC Name]
Cholest-7-ene-3,4,6,11,22-pentol, 4,6,11-triacetate, (3β,4β,5α,6α,11α,22R)- [ACD/Index Name]
Triacétate de (3β,4β,5α,6α,11α,22R)-3,22-dihydroxycholest-7-ène-4,6,11-triyle [French] [ACD/IUPAC Name]
Agosterol G
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL462502/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 628.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 106.5±6.0 kJ/mol
Flash Point: 187.9±25.0 °C
Index of Refraction: 1.537
Molar Refractivity: 154.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 5.03
ACD/LogD (pH 5.5): 5.01
ACD/BCF (pH 5.5): 3805.50
ACD/KOC (pH 5.5): 12718.99
ACD/LogD (pH 7.4): 5.01
ACD/BCF (pH 7.4): 3805.50
ACD/KOC (pH 7.4): 12718.99
Polar Surface Area: 119 Å2
Polarizability: 61.4±0.5 10-24cm3
Surface Tension: 47.0±5.0 dyne/cm
Molar Volume: 495.9±5.0 cm3

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