ChemSpider 2D Image | WJ2510000 | C29H44O8

WJ2510000

  • Molecular FormulaC29H44O8
  • Average mass520.655 Da
  • Monoisotopic mass520.303589 Da
  • ChemSpider ID106675
  • defined stereocentres - 13 of 13 defined stereocentres


More details:






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

(2β,3β,5β,22R,24S,25S,28R)-2,3,14,20,22,28-Hexahydroxy-6-oxo-stigmast-7-en-26-oic acid γ-lactone
(2β,3β,5β,22R,24S,25S,28R)-2,3,14,20,22-Pentahydroxy-26,28-epoxystigmast-7-en-6,26-dion [German] [ACD/IUPAC Name]
(2β,3β,5β,22R,24S,25S,28R)-2,3,14,20,22-Pentahydroxy-26,28-epoxystigmast-7-ene-6,26-dione [ACD/IUPAC Name]
(2β,3β,5β,22R,24S,25S,28R)-2,3,14,20,22-Pentahydroxy-26,28-époxystigmast-7-ène-6,26-dione [French] [ACD/IUPAC Name]
17086-76-9 [RN]
cyasterone
MFCD26960928
Stigmast-7-ene-6,26-dione, 26,28-epoxy-2,3,14,20,22-pentahydroxy-, (2β,3β,5β,22R,24S,25S,28R)- [ACD/Index Name]
WJ2510000
(22R,24S,25S,28R)-2β,3β,14,20,22-pentahydroxy-26,28-epoxy-5β-stigmast-7-ene-6,26-dione
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AI3-44890 [DBID]
C08816 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 735.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 122.5±6.0 kJ/mol
Flash Point: 239.2±26.4 °C
Index of Refraction: 1.600
Molar Refractivity: 135.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -0.63
ACD/LogD (pH 5.5): 0.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 32.28
ACD/LogD (pH 7.4): 0.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 32.28
Polar Surface Area: 145 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 62.2±5.0 dyne/cm
Molar Volume: 395.5±5.0 cm3

Click to predict properties on the Chemicalize site






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