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Search term: C[C@]12CCC3=C([C@H]1CC[C@@H]2[C@](C)([C@@H](CCC(C)(C)O[H])O[H])O[H])C(=O)C(=C4[C@@]3(C[C@@H]([C@@H](C4)O[H])O[H])C)O[H] (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | (2beta,3beta,14beta,22R)-2,3,6,20,22,25-Hexahydroxycholesta-5,8-dien-7-one | C27H42O7

(2β,3β,14β,22R)-2,3,6,20,22,25-Hexahydroxycholesta-5,8-dien-7-one

  • Molecular FormulaC27H42O7
  • Average mass478.618 Da
  • Monoisotopic mass478.293060 Da
  • ChemSpider ID113385114

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(2β,3β,14β,22R)-2,3,6,20,22,25-Hexahydroxycholesta-5,8-dien-7-on [German] [ACD/IUPAC Name]
(2β,3β,14β,22R)-2,3,6,20,22,25-Hexahydroxycholesta-5,8-dien-7-one [ACD/IUPAC Name]
(2β,3β,14β,22R)-2,3,6,20,22,25-Hexahydroxycholesta-5,8-dién-7-one [French] [ACD/IUPAC Name]
Cholesta-5,8-dien-7-one, 2,3,6,20,22,25-hexahydroxy-, (2β,3β,14β,22R)- [ACD/Index Name]
14β-14,15-dihydrocalonysterone
2β,3β,6,20R,22R,25-hexahydroxy-14β-cholesta-5,8(9)-dien-7-one

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

Density: 1.3±0.1 g/cm3
Boiling Point: 727.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 121.2±6.0 kJ/mol
Flash Point: 407.5±29.4 °C
Index of Refraction: 1.609
Molar Refractivity: 127.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 0.64
ACD/LogD (pH 5.5): 1.54
ACD/BCF (pH 5.5): 8.65
ACD/KOC (pH 5.5): 163.09
ACD/LogD (pH 7.4): 1.53
ACD/BCF (pH 7.4): 8.48
ACD/KOC (pH 7.4): 159.90
Polar Surface Area: 138 Å2
Polarizability: 50.4±0.5 10-24cm3
Surface Tension: 63.5±5.0 dyne/cm
Molar Volume: 367.1±5.0 cm3

Click to predict properties on the Chemicalize site


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