Found 1 result

Search term: C1[C@]2([C@@H](C[C@H](C1)O)C(=O)C=C1[C@@H]2CC[C@]2([C@]1(CC[C@@H]2[C@H](C)CCCC(C)(C)O)O)C)C (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | 3beta,5beta-Ketotriol | C27H44O4

3β,5β-Ketotriol

  • Molecular FormulaC27H44O4
  • Average mass432.636 Da
  • Monoisotopic mass432.323975 Da
  • ChemSpider ID30791929

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3β,5β)-3,14,25-Trihydroxycholest-7-en-6-on [German] [ACD/IUPAC Name]
(3β,5β)-3,14,25-Trihydroxycholest-7-en-6-one [ACD/IUPAC Name]
(3β,5β)-3,14,25-Trihydroxycholest-7-én-6-one [French] [ACD/IUPAC Name]
3β,5β-Ketotriol
Cholest-7-en-6-one, 3,14,25-trihydroxy-, (3β,5β)- [ACD/Index Name]
2,22-deoxyecdysone
2,22-Dideoxyecdysone
3&β;,5&β;-ketotriol
5&β;-ketotriol

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

Density: 1.1±0.1 g/cm3
Boiling Point: 580.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 99.7±6.0 kJ/mol
Flash Point: 318.8±26.6 °C
Index of Refraction: 1.558
Molar Refractivity: 123.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.80
ACD/LogD (pH 5.5): 4.00
ACD/BCF (pH 5.5): 648.07
ACD/KOC (pH 5.5): 3582.30
ACD/LogD (pH 7.4): 4.00
ACD/BCF (pH 7.4): 648.07
ACD/KOC (pH 7.4): 3582.30
Polar Surface Area: 78 Å2
Polarizability: 48.8±0.5 10-24cm3
Surface Tension: 48.4±5.0 dyne/cm
Molar Volume: 382.4±5.0 cm3

Click to predict properties on the Chemicalize site


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