ChemSpider 2D Image | 23,24-dihydrocucurbitacin E | C32H46O8

23,24-dihydrocucurbitacin E

  • Molecular FormulaC32H46O8
  • Average mass558.703 Da
  • Monoisotopic mass558.319275 Da
  • ChemSpider ID10187338

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(4R,9β,16α)-2,16,20-Trihydroxy-9,10,14-trimethyl-1,11,22-trioxo-4,9-cyclo-9,10-secocholesta-2,5-dien-25-yl acetate [ACD/IUPAC Name]
(4R,9β,16α)-2,16,20-Trihydroxy-9,10,14-trimethyl-1,11,22-trioxo-4,9-cyclo-9,10-secocholesta-2,5-dien-25-yl-acetat [German] [ACD/IUPAC Name]
19-Norlanosta-1,5-diene-3,11,22-trione, 25-(acetyloxy)-2,16,20-trihydroxy-9-methyl-, (9β,10α,16α)-
23,24-dihydrocucurbitacin E
Acétate de (4R,9β,16α)-2,16,20-trihydroxy-9,10,14-triméthyl-1,11,22-trioxo-4,9-cyclo-9,10-sécocholesta-2,5-dién-25-yle [French] [ACD/IUPAC Name]
Estra-1,5-diene-3,11-dione, 17-[(1R)-5-(acetyloxy)-1-hydroxy-1,5-dimethyl-2-oxohexyl]-2,16-dihydroxy-4,4,9,14-tetramethyl-, (9β,10α,16α,17β)- [ACD/Index Name]
(4R)-2,16α,20-trihydroxy-9β,10,14-trimethyl-1,11,22-trioxo-4,9-cyclo-9,10-secocholesta-2,5-dien-25-yl acetate
2,16α,20,25-tetrahydroxy-9-methyl-19-nor-9β,10α-lanosta-1,5-diene-3,11,22-trione 25-acetate
22,23-dihydrocucurbitacin E
25-acetyloxy-2,16α,20-trihydroxy-9β-methyl-19-nor-10α-lanosta-1,5-diene-3,11,22-trione

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

Density: 1.2±0.1 g/cm3
Boiling Point: 705.1±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: 220.9±26.4 °C
Index of Refraction: 1.569
Molar Refractivity: 148.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.41
ACD/LogD (pH 5.5): 3.51
ACD/BCF (pH 5.5): 272.74
ACD/KOC (pH 5.5): 1927.53
ACD/LogD (pH 7.4): 3.48
ACD/BCF (pH 7.4): 253.63
ACD/KOC (pH 7.4): 1792.45
Polar Surface Area: 138 Å2
Polarizability: 58.7±0.5 10-24cm3
Surface Tension: 53.4±5.0 dyne/cm
Molar Volume: 452.5±5.0 cm3

Click to predict properties on the Chemicalize site


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