ChemSpider 2D Image | (3beta,7beta,12beta,20Z)-12-Acetoxy-3,7-dihydroxy-11,15,23-trioxolanosta-8,20(22)-dien-26-oic acid | C32H44O9

(3β,7β,12β,20Z)-12-Acetoxy-3,7-dihydroxy-11,15,23-trioxolanosta-8,20(22)-dien-26-oic acid

  • Molecular FormulaC32H44O9
  • Average mass572.686 Da
  • Monoisotopic mass572.298523 Da
  • ChemSpider ID28649983
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 9 defined stereocentres


More details:






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

(3β,7β,12β,20Z)-12-Acetoxy-3,7-dihydroxy-11,15,23-trioxolanosta-8,20(22)-dien-26-oic acid [ACD/IUPAC Name]
(3β,7β,12β,20Z)-12-Acetoxy-3,7-dihydroxy-11,15,23-trioxolanosta-8,20(22)-dien-26-säure [German] [ACD/IUPAC Name]
Acide (3β,7β,12β,20Z)-12-acétoxy-3,7-dihydroxy-11,15,23-trioxolanosta-8,20(22)-dién-26-oïque [French] [ACD/IUPAC Name]
Lanosta-8,20(22)-dien-26-oic acid, 12-(acetyloxy)-3,7-dihydroxy-11,15,23-trioxo-, (3β,7β,12β,20Z)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 736.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 122.7±6.0 kJ/mol
Flash Point: 232.3±26.4 °C
Index of Refraction: 1.572
Molar Refractivity: 148.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 2.36
ACD/LogD (pH 5.5): 2.05
ACD/BCF (pH 5.5): 12.45
ACD/KOC (pH 5.5): 111.44
ACD/LogD (pH 7.4): 0.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.75
Polar Surface Area: 155 Å2
Polarizability: 58.7±0.5 10-24cm3
Surface Tension: 55.7±5.0 dyne/cm
Molar Volume: 449.5±5.0 cm3

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