ChemSpider 2D Image | (3beta,7beta,12beta)-3,7,12,20-Tetrahydroxy-11,15,23-trioxolanost-8-en-26-oic acid | C30H44O9

(3β,7β,12β)-3,7,12,20-Tetrahydroxy-11,15,23-trioxolanost-8-en-26-oic acid

  • Molecular FormulaC30H44O9
  • Average mass548.665 Da
  • Monoisotopic mass548.298523 Da
  • ChemSpider ID58922433

  • defined stereocentres - 9 of 10 defined stereocentres

More details:

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

(3β,7β,12β)-3,7,12,20-Tetrahydroxy-11,15,23-trioxolanost-8-en-26-oic acid [ACD/IUPAC Name]
(3β,7β,12β)-3,7,12,20-Tetrahydroxy-11,15,23-trioxolanost-8-en-26-säure [German] [ACD/IUPAC Name]
Acide (3β,7β,12β)-3,7,12,20-tétrahydroxy-11,15,23-trioxolanost-8-én-26-oïque [French] [ACD/IUPAC Name]
Lanost-8-en-26-oic acid, 3,7,12,20-tetrahydroxy-11,15,23-trioxo-, (3β,7β,12β)- [ACD/Index Name]
(6S)-6-hydroxy-2-methyl-4-oxo-6-[(3S,5R,7S,10S,12S,13R,14R,17S)-3,7,12-trihydroxy-4,4,10,13,14-pentamethyl-11,15-dioxo-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]heptanoic acid
20-Hydroxyganoderic acid G
400604-12-8 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 760.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.8 mmHg at 25°C
Enthalpy of Vaporization: 126.3±6.0 kJ/mol
Flash Point: 427.4±29.4 °C
Index of Refraction: 1.589
Molar Refractivity: 140.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 0.77
ACD/LogD (pH 5.5): 0.63
ACD/BCF (pH 5.5): 1.15
ACD/KOC (pH 5.5): 23.12
ACD/LogD (pH 7.4): -1.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 169 Å2
Polarizability: 55.6±0.5 10-24cm3
Surface Tension: 62.1±5.0 dyne/cm
Molar Volume: 416.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement