ChemSpider 2D Image | Cucurbitacin L | C30H44O7

Cucurbitacin L

  • Molecular FormulaC30H44O7
  • Average mass516.666 Da
  • Monoisotopic mass516.308716 Da
  • ChemSpider ID390403

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(4R,9β,16α)-2,16,20,25-Tetrahydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-2,5-dien-1,11,22-trion [German] [ACD/IUPAC Name]
(4R,9β,16α)-2,16,20,25-Tetrahydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-2,5-diene-1,11,22-trione [ACD/IUPAC Name]
(4R,9β,16α)-2,16,20,25-Tétrahydroxy-9,10,14-triméthyl-4,9-cyclo-9,10-sécocholesta-2,5-diène-1,11,22-trione [French] [ACD/IUPAC Name]
1110-02-7 [RN]
Cucurbitacin L
Estra-1,5-diene-3,11-dione, 17-[(1R)-1,5-dihydroxy-1,5-dimethyl-2-oxohexyl]-2,16-dihydroxy-4,4,9,14-tetramethyl-, (9β,10α,16α,17β)- [ACD/Index Name]
19-NORLANOSTA-1,5-DIENE-3,11,22-TRIONE,2,16,20,25-TETRAHYDROXY-9-METHYL-, (9B,10A,16A)-

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

C08802 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 696.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 116.6±6.0 kJ/mol
Flash Point: 389.1±28.0 °C
Index of Refraction: 1.583
Molar Refractivity: 138.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 2.51
ACD/LogD (pH 5.5): 2.71
ACD/BCF (pH 5.5): 68.06
ACD/KOC (pH 5.5): 713.62
ACD/LogD (pH 7.4): 2.68
ACD/BCF (pH 7.4): 63.29
ACD/KOC (pH 7.4): 663.66
Polar Surface Area: 132 Å2
Polarizability: 54.9±0.5 10-24cm3
Surface Tension: 56.0±5.0 dyne/cm
Molar Volume: 414.9±5.0 cm3

Click to predict properties on the Chemicalize site


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