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Search term: C1[C@]2([C@@H](C[C@H]([C@H]1O)O)C(=O)C=C1[C@@H]2[C@@H](C[C@]2([C@]1(CC[C@@H]2[C@](C)(C(=O)CCC(C)(C)O)O)O)C)O)C (Found by conversion of search term to chemical structure (full match))

ChemSpider 2D Image | (2beta,3beta,5beta,11alpha)-2,3,11,14,20,25-Hexahydroxycholest-7-ene-6,22-dione | C27H42O8

(2β,3β,5β,11α)-2,3,11,14,20,25-Hexahydroxycholest-7-ene-6,22-dione

  • Molecular FormulaC27H42O8
  • Average mass494.618 Da
  • Monoisotopic mass494.287964 Da
  • ChemSpider ID113385080
  • defined stereocentres - 10 of 10 defined stereocentres


More details:






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

(2β,3β,5β,11α)-2,3,11,14,20,25-Hexahydroxycholest-7-en-6,22-dion [German] [ACD/IUPAC Name]
(2β,3β,5β,11α)-2,3,11,14,20,25-Hexahydroxycholest-7-ene-6,22-dione [ACD/IUPAC Name]
(2β,3β,5β,11α)-2,3,11,14,20,25-Hexahydroxycholest-7-ène-6,22-dione [French] [ACD/IUPAC Name]
Cholest-7-ene-6,22-dione, 2,3,11,14,20,25-hexahydroxy-, (2β,3β,5β,11α)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 707.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 118.3±6.0 kJ/mol
Flash Point: 395.7±29.4 °C
Index of Refraction: 1.604
Molar Refractivity: 127.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -0.34
ACD/LogD (pH 5.5): 0.31
ACD/BCF (pH 5.5): 1.01
ACD/KOC (pH 5.5): 35.17
ACD/LogD (pH 7.4): 0.31
ACD/BCF (pH 7.4): 1.01
ACD/KOC (pH 7.4): 35.17
Polar Surface Area: 156 Å2
Polarizability: 50.7±0.5 10-24cm3
Surface Tension: 65.7±5.0 dyne/cm
Molar Volume: 372.0±5.0 cm3

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