ChemSpider 2D Image | (5alpha,14xi,24S)-24,25-Dihydroxy-4,4,17-trimethyl-3-oxocholesta-7,9(11)-dien-27-yl (2Z,5E,9E)-2-[2-(2,5-dihydroxyphenyl)-2-oxoethylidene]-11-hydroxy-6,10-dimethyl-5,9-undecadienoate | C51H72O9

(5α,14ξ,24S)-24,25-Dihydroxy-4,4,17-trimethyl-3-oxocholesta-7,9(11)-dien-27-yl (2Z,5E,9E)-2-[2-(2,5-dihydroxyphenyl)-2-oxoethylidene]-11-hydroxy-6,10-dimethyl-5,9-undecadienoate

  • Molecular FormulaC51H72O9
  • Average mass829.112 Da
  • Monoisotopic mass828.517639 Da
  • ChemSpider ID28286388
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 8 defined stereocentres


More details:



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

(2Z,5E,9E)-2-[2-(2,5-Dihydroxyphényl)-2-oxoéthylidène]-11-hydroxy-6,10-diméthyl-5,9-undécadiénoate de (5α,14ξ,24S)-24,25-dihydroxy-4,4,17-triméthyl-3-oxocholesta-7,9(11)-dién-27-yle [French] [ACD/IUPAC Name]
(5α,14ξ,24S)-24,25-Dihydroxy-4,4,17-trimethyl-3-oxocholesta-7,9(11)-dien-27-yl (2Z,5E,9E)-2-[2-(2,5-dihydroxyphenyl)-2-oxoethylidene]-11-hydroxy-6,10-dimethyl-5,9-undecadienoate [ACD/IUPAC Name]
(5α,14ξ,24S)-24,25-Dihydroxy-4,4,17-trimethyl-3-oxocholesta-7,9(11)-dien-27-yl-(2Z,5E,9E)-2-[2-(2,5-dihydroxyphenyl)-2-oxoethyliden]-11-hydroxy-6,10-dimethyl-5,9-undecadienoat [German] [ACD/IUPAC Name]
5,9-Undecadienoic acid, 2-[2-(2,5-dihydroxyphenyl)-2-oxoethylidene]-11-hydroxy-6,10-dimethyl-, (5α,14ξ,24S)-24,25-dihydroxy-4,4,17-trimethyl-3-oxocholesta-7,9(11)-dien-27-yl ester, (2Z,5E,9E)- [ACD/Index Name]
ganosinensin A

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

Density: 1.2±0.1 g/cm3
Boiling Point: 925.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 141.0±3.0 kJ/mol
Flash Point: 261.0±27.8 °C
Index of Refraction: 1.592
Molar Refractivity: 235.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 10.30
ACD/LogD (pH 5.5): 9.45
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 3295128.25
ACD/LogD (pH 7.4): 9.38
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2768114.00
Polar Surface Area: 162 Å2
Polarizability: 93.2±0.5 10-24cm3
Surface Tension: 56.0±5.0 dyne/cm
Molar Volume: 694.3±5.0 cm3

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