ChemSpider 2D Image | Methyl (3beta,7beta,15alpha,24S)-3,7,15,24-tetrahydroxy-11,23-dioxolanost-8-en-26-oate | C31H48O8

Methyl (3β,7β,15α,24S)-3,7,15,24-tetrahydroxy-11,23-dioxolanost-8-en-26-oate

  • Molecular FormulaC31H48O8
  • Average mass548.708 Da
  • Monoisotopic mass548.334900 Da
  • ChemSpider ID78441825

  • defined stereocentres - 10 of 11 defined stereocentres

More details:

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

(3β,7β,15α,24S)-3,7,15,24-Tétrahydroxy-11,23-dioxolanost-8-én-26-oate de méthyle [French] [ACD/IUPAC Name]
Lanost-8-en-26-oic acid, 3,7,15,24-tetrahydroxy-11,23-dioxo-, methyl ester, (3β,7β,15α,24S)- [ACD/Index Name]
Methyl (3β,7β,15α,24S)-3,7,15,24-tetrahydroxy-11,23-dioxolanost-8-en-26-oate [ACD/IUPAC Name]
Methyl-(3β,7β,15α,24S)-3,7,15,24-tetrahydroxy-11,23-dioxolanost-8-en-26-oat [German] [ACD/IUPAC Name]
Ganoderic acid XL5

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

Density: 1.2±0.1 g/cm3
Boiling Point: 699.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 117.1±6.0 kJ/mol
Flash Point: 219.9±25.0 °C
Index of Refraction: 1.565
Molar Refractivity: 145.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 2.03
ACD/LogD (pH 5.5): 3.11
ACD/BCF (pH 5.5): 135.43
ACD/KOC (pH 5.5): 1168.11
ACD/LogD (pH 7.4): 3.11
ACD/BCF (pH 7.4): 135.43
ACD/KOC (pH 7.4): 1168.09
Polar Surface Area: 141 Å2
Polarizability: 57.5±0.5 10-24cm3
Surface Tension: 54.0±5.0 dyne/cm
Molar Volume: 445.2±5.0 cm3

Click to predict properties on the Chemicalize site


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