ChemSpider 2D Image | (3beta,4beta,5alpha,6alpha,11alpha,22R)-11,22-Dihydroxyergosta-7,24(28)-diene-3,4,6-triyl triacetate | C34H52O8

(3β,4β,5α,6α,11α,22R)-11,22-Dihydroxyergosta-7,24(28)-diene-3,4,6-triyl triacetate

  • Molecular FormulaC34H52O8
  • Average mass588.772 Da
  • Monoisotopic mass588.366211 Da
  • ChemSpider ID10262598

  • 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)-11,22-Dihydroxyergosta-7,24(28)-dien-3,4,6-triyl-triacetat [German] [ACD/IUPAC Name]
(3β,4β,5α,6α,11α,22R)-11,22-Dihydroxyergosta-7,24(28)-diene-3,4,6-triyl triacetate [ACD/IUPAC Name]
Ergosta-7,24(28)-diene-3,4,6,11,22-pentol, 3,4,6-triacetate, (3β,4β,5α,6α,11α,22R)- [ACD/Index Name]
Triacétate de (3β,4β,5α,6α,11α,22R)-11,22-dihydroxyergosta-7,24(28)-diène-3,4,6-triyle [French] [ACD/IUPAC Name]
agosterol A4

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

Density: 1.2±0.1 g/cm3
Boiling Point: 647.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 109.4±6.0 kJ/mol
Flash Point: 193.7±25.0 °C
Index of Refraction: 1.539
Molar Refractivity: 158.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 5.62
ACD/LogD (pH 5.5): 5.40
ACD/BCF (pH 5.5): 7503.45
ACD/KOC (pH 5.5): 20677.72
ACD/LogD (pH 7.4): 5.40
ACD/BCF (pH 7.4): 7503.45
ACD/KOC (pH 7.4): 20677.72
Polar Surface Area: 119 Å2
Polarizability: 63.0±0.5 10-24cm3
Surface Tension: 46.5±5.0 dyne/cm
Molar Volume: 507.1±5.0 cm3

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