Found 1 result

Search term: C1[C@]2([C@@H](C[C@H]([C@H]1O)O)C(=O)C=C1[C@@H]2CC[C@]2([C@]1(CC[C@@H]2[C@](C)([C@@H](C[C@H](C(C)(C)O)CCO)O)O)O)C)C (Found by conversion of search term to chemical structure (connectivity match))
ChemSpider 2D Image | (2beta,3beta,5beta,22R,24xi)-2,3,14,20,22,25,29-Heptahydroxystigmast-7-en-6-one | C29H48O8

(2β,3β,5β,22R,24ξ)-2,3,14,20,22,25,29-Heptahydroxystigmast-7-en-6-one

  • Molecular FormulaC29H48O8
  • Average mass524.687 Da
  • Monoisotopic mass524.334900 Da
  • ChemSpider ID9278511

  • defined stereocentres - 10 of 11 defined stereocentres

More details:

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

(2β,3β,5β,22R,24ξ)-2,3,14,20,22,25,29-Heptahydroxystigmast-7-en-6-on [German] [ACD/IUPAC Name]
(2β,3β,5β,22R,24ξ)-2,3,14,20,22,25,29-Heptahydroxystigmast-7-en-6-one [ACD/IUPAC Name]
(2β,3β,5β,22R,24ξ)-2,3,14,20,22,25,29-Heptahydroxystigmast-7-én-6-one [French] [ACD/IUPAC Name]
Stigmast-7-en-6-one, 2,3,14,20,22,25,29-heptahydroxy-, (2β,3β,5β,22R,24ξ)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 757.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.8 mmHg at 25°C
Enthalpy of Vaporization: 125.8±6.0 kJ/mol
Flash Point: 425.7±29.4 °C
Index of Refraction: 1.600
Molar Refractivity: 138.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -1.57
ACD/LogD (pH 5.5): -0.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 22.26
ACD/LogD (pH 7.4): -0.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 22.26
Polar Surface Area: 159 Å2
Polarizability: 54.9±0.5 10-24cm3
Surface Tension: 64.7±5.0 dyne/cm
Molar Volume: 405.2±5.0 cm3

Click to predict properties on the Chemicalize site


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