ChemSpider 2D Image | (3beta,17xi,22S,23R)-3,22-Dihydroxy-23,29-epoxystigmasta-5,24(28)-diene-7,29-dione | C29H42O5

(3β,17ξ,22S,23R)-3,22-Dihydroxy-23,29-epoxystigmasta-5,24(28)-diene-7,29-dione

  • Molecular FormulaC29H42O5
  • Average mass470.641 Da
  • Monoisotopic mass470.303223 Da
  • ChemSpider ID28533969

  • defined stereocentres - 9 of 10 defined stereocentres

More details:

Featured data source
The Merck Index Online

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

(3β,17ξ,22S,23R)-3,22-Dihydroxy-23,29-epoxystigmasta-5,24(28)-dien-7,29-dion [German] [ACD/IUPAC Name]
(3β,17ξ,22S,23R)-3,22-Dihydroxy-23,29-epoxystigmasta-5,24(28)-diene-7,29-dione [ACD/IUPAC Name]
(3β,17ξ,22S,23R)-3,22-Dihydroxy-23,29-époxystigmasta-5,24(28)-diène-7,29-dione [French] [ACD/IUPAC Name]
Stigmasta-5,24(28)-diene-7,29-dione, 23,29-epoxy-3,22-dihydroxy-, (3β,17ξ,22S,23R)- [ACD/Index Name]
antheridiol

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

Density: 1.2±0.1 g/cm3
Boiling Point: 654.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 110.4±6.0 kJ/mol
Flash Point: 213.1±22.2 °C
Index of Refraction: 1.572
Molar Refractivity: 130.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.29
ACD/LogD (pH 5.5): 3.45
ACD/BCF (pH 5.5): 247.66
ACD/KOC (pH 5.5): 1799.41
ACD/LogD (pH 7.4): 3.45
ACD/BCF (pH 7.4): 247.66
ACD/KOC (pH 7.4): 1799.41
Polar Surface Area: 84 Å2
Polarizability: 51.7±0.5 10-24cm3
Surface Tension: 49.5±5.0 dyne/cm
Molar Volume: 396.2±5.0 cm3

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