ChemSpider 2D Image | (3beta,16alpha)-3-Acetoxy-16-hydroxylanosta-8,24-dien-21-oic acid | C32H50O5

(3β,16α)-3-Acetoxy-16-hydroxylanosta-8,24-dien-21-oic acid

  • Molecular FormulaC32H50O5
  • Average mass514.736 Da
  • Monoisotopic mass514.365845 Da
  • ChemSpider ID72975884

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(2R)-2-[(1R,2R,3aR,5aR,7S,9aS,11aR)-7-(acetyloxy)-2-hydroxy-3a,6,6,9a,11a-pentamethyl-1H,2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-6-methylhept-5-enoic acid
(2R)-2-[(1R,2R,3aR,5aR,7S,9aS,11aR)-7-(acetyloxy)-2-hydroxy-3a,6,6,9a,11a-pentamethyl-1H,2H,3H,4H,5H,5aH,7H,8H,9H,10H,11H-cyclopenta[a]phenanthren-1-yl]-6-methylhept-5-enoic acid
(3β,16α)-3-Acetoxy-16-hydroxylanosta-8,24-dien-21-oic acid [ACD/IUPAC Name]
(3β,16α)-3-Acetoxy-16-hydroxylanosta-8,24-dien-21-säure [German] [ACD/IUPAC Name]
168293-13-8 [RN]
Acide (3β,16α)-3-acétoxy-16-hydroxylanosta-8,24-dién-21-oïque [French] [ACD/IUPAC Name]
Lanosta-8,24-dien-21-oic acid, 3-(acetyloxy)-16-hydroxy-, (3β,16α)- [ACD/Index Name]
3-O-Acetyl-16 α-hydroxytrametenolic acid
3-O-Acetyl-16a-hydroxytrametenolic acid

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

Density: 1.1±0.1 g/cm3
Boiling Point: 606.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 103.5±6.0 kJ/mol
Flash Point: 185.1±25.0 °C
Index of Refraction: 1.546
Molar Refractivity: 146.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 8.23
ACD/LogD (pH 5.5): 6.97
ACD/BCF (pH 5.5): 67804.84
ACD/KOC (pH 5.5): 52652.89
ACD/LogD (pH 7.4): 5.16
ACD/BCF (pH 7.4): 1065.41
ACD/KOC (pH 7.4): 827.33
Polar Surface Area: 84 Å2
Polarizability: 57.9±0.5 10-24cm3
Surface Tension: 45.4±5.0 dyne/cm
Molar Volume: 461.4±5.0 cm3

Click to predict properties on the Chemicalize site


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