ChemSpider 2D Image | (3beta,5xi,15alpha,17xi,24E)-3,15,20-Trihydroxy-7,11-dioxolanosta-8,24-dien-26-oic acid | C30H44O7

(3β,5ξ,15α,17ξ,24E)-3,15,20-Trihydroxy-7,11-dioxolanosta-8,24-dien-26-oic acid

  • Molecular FormulaC30H44O7
  • Average mass516.666 Da
  • Monoisotopic mass516.308716 Da
  • ChemSpider ID78442395

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 8 defined stereocentres

More details:

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

(3β,5ξ,15α,17ξ,24E)-3,15,20-Trihydroxy-7,11-dioxolanosta-8,24-dien-26-oic acid [ACD/IUPAC Name]
(3β,5ξ,15α,17ξ,24E)-3,15,20-Trihydroxy-7,11-dioxolanosta-8,24-dien-26-säure [German] [ACD/IUPAC Name]
Acide (3β,5ξ,15α,17ξ,24E)-3,15,20-trihydroxy-7,11-dioxolanosta-8,24-dién-26-oïque [French] [ACD/IUPAC Name]
Lanosta-8,24-dien-26-oic acid, 3,15,20-trihydroxy-7,11-dioxo-, (3β,5ξ,15α,17ξ,24E)- [ACD/Index Name]
Resinacein E

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

Density: 1.2±0.1 g/cm3
Boiling Point: 704.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 117.9±6.0 kJ/mol
Flash Point: 394.0±29.4 °C
Index of Refraction: 1.582
Molar Refractivity: 138.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 2.70
ACD/LogD (pH 5.5): 2.86
ACD/BCF (pH 5.5): 61.80
ACD/KOC (pH 5.5): 443.86
ACD/LogD (pH 7.4): 1.09
ACD/BCF (pH 7.4): 1.06
ACD/KOC (pH 7.4): 7.64
Polar Surface Area: 132 Å2
Polarizability: 54.9±0.5 10-24cm3
Surface Tension: 56.3±5.0 dyne/cm
Molar Volume: 414.4±5.0 cm3

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