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)CCO)O)O)O)C)C (Found by conversion of search term to chemical structure (connectivity match))
ChemSpider 2D Image | (2beta,3beta,9xi,20S,22R)-2,3,14,20,22,29-Hexahydroxystigmast-7-en-6-one | C29H48O7

(2β,3β,9ξ,20S,22R)-2,3,14,20,22,29-Hexahydroxystigmast-7-en-6-one

  • Molecular FormulaC29H48O7
  • Average mass508.687 Da
  • Monoisotopic mass508.339996 Da
  • ChemSpider ID9378050

  • defined stereocentres - 9 of 11 defined stereocentres

More details:

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

(2β,3β,9ξ,20S,22R)-2,3,14,20,22,29-Hexahydroxystigmast-7-en-6-on [German] [ACD/IUPAC Name]
(2β,3β,9ξ,20S,22R)-2,3,14,20,22,29-Hexahydroxystigmast-7-en-6-one [ACD/IUPAC Name]
(2β,3β,9ξ,20S,22R)-2,3,14,20,22,29-Hexahydroxystigmast-7-én-6-one [French] [ACD/IUPAC Name]
Stigmast-7-en-6-one, 2,3,14,20,22,29-hexahydroxy-, (2β,3β,9ξ,20S,22R)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 722.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 120.5±6.0 kJ/mol
Flash Point: 404.5±29.4 °C
Index of Refraction: 1.586
Molar Refractivity: 137.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 0.42
ACD/LogD (pH 5.5): 1.33
ACD/BCF (pH 5.5): 6.01
ACD/KOC (pH 5.5): 125.58
ACD/LogD (pH 7.4): 1.33
ACD/BCF (pH 7.4): 6.01
ACD/KOC (pH 7.4): 125.58
Polar Surface Area: 138 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 59.5±5.0 dyne/cm
Molar Volume: 408.2±5.0 cm3

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