ChemSpider 2D Image | (5beta,7alpha,10alpha,13alpha,14beta,17alpha,20S)-7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid | C30H42O8

(5β,7α,10α,13α,14β,17α,20S)-7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid

  • Molecular FormulaC30H42O8
  • Average mass530.650 Da
  • Monoisotopic mass530.287964 Da
  • ChemSpider ID82965121

  • defined stereocentres - 7 of 9 defined stereocentres

More details:

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

(5β,7α,10α,13α,14β,17α,20S)-7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-oic acid [ACD/IUPAC Name]
(5β,7α,10α,13α,14β,17α,20S)-7,12-Dihydroxy-3,11,15,23-tetraoxolanost-8-en-26-säure [German] [ACD/IUPAC Name]
Acide (5β,7α,10α,13α,14β,17α,20S)-7,12-dihydroxy-3,11,15,23-tétraoxolanost-8-én-26-oïque [French] [ACD/IUPAC Name]
Lanost-8-en-26-oic acid, 7,12-dihydroxy-3,11,15,23-tetraoxo-, (5β,7α,10α,13α,14β,17α,20S)- [ACD/Index Name]
(6S)-6-[(5S,7R,10R,13S,14S,17S)-7,12-Dihydroxy-4,4,10,13,14-pentamethyl-3,11,15-trioxo-1,2,5,6,7,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid
942950-96-1 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 722.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 120.5±6.0 kJ/mol
Flash Point: 404.6±29.4 °C
Index of Refraction: 1.570
Molar Refractivity: 137.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 1.47
ACD/LogD (pH 5.5): 1.05
ACD/BCF (pH 5.5): 2.37
ACD/KOC (pH 5.5): 38.09
ACD/LogD (pH 7.4): -0.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 146 Å2
Polarizability: 54.4±0.5 10-24cm3
Surface Tension: 55.9±5.0 dyne/cm
Molar Volume: 418.3±5.0 cm3

Click to predict properties on the Chemicalize site


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