Found 1 result

Search term: 59696424 (Found by CSID)
ChemSpider 2D Image | (2beta,3beta,5beta,9xi,22R)-2,3,14,20,22,25-Hexahydroxyergosta-7,24(28)-dien-6-one | C28H44O7

(2β,3β,5β,9ξ,22R)-2,3,14,20,22,25-Hexahydroxyergosta-7,24(28)-dien-6-one

  • Molecular FormulaC28H44O7
  • Average mass492.645 Da
  • Monoisotopic mass492.308716 Da
  • ChemSpider ID59696424

  • defined stereocentres - 9 of 10 defined stereocentres

More details:

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

(2β,3β,5β,9ξ,22R)-2,3,14,20,22,25-Hexahydroxyergosta-7,24(28)-dien-6-on [German] [ACD/IUPAC Name]
(2β,3β,5β,9ξ,22R)-2,3,14,20,22,25-Hexahydroxyergosta-7,24(28)-dien-6-one [ACD/IUPAC Name]
(2β,3β,5β,9ξ,22R)-2,3,14,20,22,25-Hexahydroxyergosta-7,24(28)-dién-6-one [French] [ACD/IUPAC Name]
Ergosta-7,24(28)-dien-6-one, 2,3,14,20,22,25-hexahydroxy-, (2β,3β,5β,9ξ,22R)- [ACD/Index Name]
(2R,4S,5R,7R,11S,14S,15R)-4,5,11-trihydroxy-2,15-dimethyl-14-[(2R,3R)-2,3,6-trihydroxy-6-methyl-5-methylideneheptan-2-yl]tetracyclo[8.7.0.02,7.011,15]heptadec-9-en-8-one
24(28)-Dehydromakisterone

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

Density: 1.3±0.1 g/cm3
Boiling Point: 714.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 119.3±6.0 kJ/mol
Flash Point: 399.6±29.4 °C
Index of Refraction: 1.599
Molar Refractivity: 132.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 0.16
ACD/LogD (pH 5.5): 0.99
ACD/BCF (pH 5.5): 3.34
ACD/KOC (pH 5.5): 82.43
ACD/LogD (pH 7.4): 0.99
ACD/BCF (pH 7.4): 3.34
ACD/KOC (pH 7.4): 82.43
Polar Surface Area: 138 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 60.9±5.0 dyne/cm
Molar Volume: 386.4±5.0 cm3

Click to predict properties on the Chemicalize site


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