ChemSpider 2D Image | (3beta)-3-Acetoxylanosta-8,24-dien-21-oic acid | C32H50O4

(3β)-3-Acetoxylanosta-8,24-dien-21-oic acid

  • Molecular FormulaC32H50O4
  • Average mass498.737 Da
  • Monoisotopic mass498.370911 Da
  • ChemSpider ID23282406

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(3β)-3-(acetyloxy)lanosta-8,24-dien-21-oic acid
(3β)-3-Acetoxylanosta-8,24-dien-21-oic acid [ACD/IUPAC Name]
(3β)-3-Acetoxylanosta-8,24-dien-21-säure [German] [ACD/IUPAC Name]
Acide (3β)-3-acétoxylanosta-8,24-dién-21-oïque [French] [ACD/IUPAC Name]
Lanosta-8,24-dien-21-oic acid, 3-(acetyloxy)-, (3β)- [ACD/Index Name]
(2R)-2-[(3S,5R,10S,13R,14R,17R)-3-acetyloxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-enoic acid
(R)-2-((3S,5R,10S,13R,14R,17R)-3-acetoxy-4,4,10,13,14-pentamethyl-2,3,4,5,6,7,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-6-methylhept-5-enoic acid
117895-68-8 [RN]
174391-64-1 [RN]
3?-acetoxy-5?-lanosta-8,24-dien-21-oic acid
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 577.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 94.4±6.0 kJ/mol
Flash Point: 174.4±23.6 °C
Index of Refraction: 1.536
Molar Refractivity: 144.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 9.94
ACD/LogD (pH 5.5): 8.11
ACD/BCF (pH 5.5): 517166.28
ACD/KOC (pH 5.5): 236023.28
ACD/LogD (pH 7.4): 6.30
ACD/BCF (pH 7.4): 8147.00
ACD/KOC (pH 7.4): 3718.11
Polar Surface Area: 64 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 42.4±5.0 dyne/cm
Molar Volume: 463.6±5.0 cm3

Click to predict properties on the Chemicalize site


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