ChemSpider 2D Image | (2beta,3beta,5beta,22R)-2,3,14,20,22,25-Hexahydroxystigmast-7-en-6-one | C29H48O7

(2β,3β,5β,22R)-2,3,14,20,22,25-Hexahydroxystigmast-7-en-6-one

  • Molecular FormulaC29H48O7
  • Average mass508.687 Da
  • Monoisotopic mass508.339996 Da
  • ChemSpider ID28525928
  • defined stereocentres - 11 of 11 defined stereocentres


More details:






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

(2β,3β,5β,22R)-2,3,14,20,22,25-Hexahydroxystigmast-7-en-6-on [German] [ACD/IUPAC Name]
(2β,3β,5β,22R)-2,3,14,20,22,25-Hexahydroxystigmast-7-en-6-one [ACD/IUPAC Name]
(2β,3β,5β,22R)-2,3,14,20,22,25-Hexahydroxystigmast-7-én-6-one [French] [ACD/IUPAC Name]
Stigmast-7-en-6-one, 2,3,14,20,22,25-hexahydroxy-, (2β,3β,5β,22R)- [ACD/Index Name]
19974-41-5 [RN]
Rapisterone C

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 711.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 118.9±6.0 kJ/mol
Flash Point: 398.2±29.4 °C
Index of Refraction: 1.587
Molar Refractivity: 137.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 0.35
ACD/LogD (pH 5.5): 0.98
ACD/BCF (pH 5.5): 3.27
ACD/KOC (pH 5.5): 81.20
ACD/LogD (pH 7.4): 0.98
ACD/BCF (pH 7.4): 3.27
ACD/KOC (pH 7.4): 81.20
Polar Surface Area: 138 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 59.3±5.0 dyne/cm
Molar Volume: 408.0±5.0 cm3

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