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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](CCC(C)(C)OC(=O)C)O)O)O)C)C (Found by conversion of search term to chemical structure (full match))

ChemSpider 2D Image | (2beta,3beta,5beta,22R)-2,3,14,20,22-Pentahydroxy-6-oxocholest-7-en-25-yl acetate | C29H46O8

(2β,3β,5β,22R)-2,3,14,20,22-Pentahydroxy-6-oxocholest-7-en-25-yl acetate

  • Molecular FormulaC29H46O8
  • Average mass522.671 Da
  • Monoisotopic mass522.319275 Da
  • ChemSpider ID9401264
  • defined stereocentres - 10 of 10 defined stereocentres


More details:






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

(2β,3β,5β,22R)-2,3,14,20,22-Pentahydroxy-6-oxocholest-7-en-25-yl acetate [ACD/IUPAC Name]
(2β,3β,5β,22R)-2,3,14,20,22-Pentahydroxy-6-oxocholest-7-en-25-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (2β,3β,5β,22R)-2,3,14,20,22-pentahydroxy-6-oxocholest-7-én-25-yle [French] [ACD/IUPAC Name]
Cholest-7-en-6-one, 25-(acetyloxy)-2,3,14,20,22-pentahydroxy-, (2β,3β,5β,22R)-
Cholest-7-en-6-one, 25-(acetyloxy)-2,3,14,20,22-pentahydroxy-, (2β,3β,5β,22R)- [ACD/Index Name]
22033-96-1 [RN]
Viticosterone E

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

Density: 1.3±0.1 g/cm3
Boiling Point: 696.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 116.6±6.0 kJ/mol
Flash Point: 222.9±25.0 °C
Index of Refraction: 1.580
Molar Refractivity: 137.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 0.56
ACD/LogD (pH 5.5): 1.58
ACD/BCF (pH 5.5): 9.40
ACD/KOC (pH 5.5): 173.07
ACD/LogD (pH 7.4): 1.58
ACD/BCF (pH 7.4): 9.40
ACD/KOC (pH 7.4): 173.07
Polar Surface Area: 145 Å2
Polarizability: 54.5±0.5 10-24cm3
Surface Tension: 58.7±5.0 dyne/cm
Molar Volume: 412.9±5.0 cm3

Click to predict properties on the Chemicalize site






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