ChemSpider 2D Image | (5xi,15alpha,17xi)-15-Acetoxy-3,11,23-trioxolanost-8-en-26-oic acid | C32H46O7

(5ξ,15α,17ξ)-15-Acetoxy-3,11,23-trioxolanost-8-en-26-oic acid

  • Molecular FormulaC32H46O7
  • Average mass542.703 Da
  • Monoisotopic mass542.324341 Da
  • ChemSpider ID29355653

  • defined stereocentres - 5 of 8 defined stereocentres

More details:

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(5ξ,15α,17ξ)-15-Acetoxy-3,11,23-trioxolanost-8-en-26-oic acid [ACD/IUPAC Name]
(5ξ,15α,17ξ)-15-Acetoxy-3,11,23-trioxolanost-8-en-26-säure [German] [ACD/IUPAC Name]
Acide (5ξ,15α,17ξ)-15-acétoxy-3,11,23-trioxolanost-8-én-26-oïque [French] [ACD/IUPAC Name]
Lanost-8-en-26-oic acid, 15-(acetyloxy)-3,11,23-trioxo-, (5ξ,15α,17ξ)- [ACD/Index Name]
15-O-acetylganolucidate 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: 657.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 105.6±6.0 kJ/mol
Flash Point: 204.2±25.0 °C
Index of Refraction: 1.542
Molar Refractivity: 145.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.13
ACD/LogD (pH 5.5): 3.54
ACD/BCF (pH 5.5): 187.04
ACD/KOC (pH 5.5): 873.72
ACD/LogD (pH 7.4): 1.75
ACD/BCF (pH 7.4): 3.00
ACD/KOC (pH 7.4): 14.01
Polar Surface Area: 115 Å2
Polarizability: 57.6±0.5 10-24cm3
Surface Tension: 47.7±5.0 dyne/cm
Molar Volume: 461.3±5.0 cm3

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