ChemSpider 2D Image | (2beta,3beta,5beta,17beta)-2,3,5,14-Tetrahydroxy-17-[(4R,5R)-5-(3-hydroxy-3-methylbutyl)-2,2,4-trimethyl-1,3-dioxolan-4-yl]androst-7-en-6-one | C30H48O8

(2β,3β,5β,17β)-2,3,5,14-Tetrahydroxy-17-[(4R,5R)-5-(3-hydroxy-3-methylbutyl)-2,2,4-trimethyl-1,3-dioxolan-4-yl]androst-7-en-6-one

  • Molecular FormulaC30H48O8
  • Average mass536.697 Da
  • Monoisotopic mass536.334900 Da
  • ChemSpider ID28526014

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(2β,3β,5β,17β)-2,3,5,14-Tetrahydroxy-17-[(4R,5R)-5-(3-hydroxy-3-methylbutyl)-2,2,4-trimethyl-1,3-dioxolan-4-yl]androst-7-en-6-on [German] [ACD/IUPAC Name]
(2β,3β,5β,17β)-2,3,5,14-Tetrahydroxy-17-[(4R,5R)-5-(3-hydroxy-3-methylbutyl)-2,2,4-trimethyl-1,3-dioxolan-4-yl]androst-7-en-6-one [ACD/IUPAC Name]
(2β,3β,5β,17β)-2,3,5,14-Tétrahydroxy-17-[(4R,5R)-5-(3-hydroxy-3-méthylbutyl)-2,2,4-triméthyl-1,3-dioxolan-4-yl]androst-7-én-6-one [French] [ACD/IUPAC Name]
Androst-7-en-6-one, 2,3,5,14-tetrahydroxy-17-[(4R,5R)-5-(3-hydroxy-3-methylbutyl)-2,2,4-trimethyl-1,3-dioxolan-4-yl]-, (2β,3β,5β,17β)- [ACD/Index Name]
(22R)-2β,3β,5,14,25-Pentahydroxy-20,22-(isopropylidenedioxy)-5β-cholest-7-en-6-one
(2S,3R,5S,9R,10R,13R,14S,17S)-2,3,5,14-tetrahydroxy-17-[(4R,5R)-5-(3-hydroxy-3-methylbutyl)-2,2,4-trimethyl-1,3-dioxolan-4-yl]-10,13-dimethyl-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one
159858-85-2 [RN]
Polypodine B 20,22-acetonide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 668.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 112.4±6.0 kJ/mol
Flash Point: 211.0±25.0 °C
Index of Refraction: 1.590
Molar Refractivity: 141.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 1.61
ACD/LogD (pH 5.5): 1.93
ACD/BCF (pH 5.5): 17.17
ACD/KOC (pH 5.5): 266.40
ACD/LogD (pH 7.4): 1.93
ACD/BCF (pH 7.4): 17.17
ACD/KOC (pH 7.4): 266.39
Polar Surface Area: 137 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 59.1±5.0 dyne/cm
Molar Volume: 419.5±5.0 cm3

Click to predict properties on the Chemicalize site


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