ChemSpider 2D Image | Cucurbalsaminol A | C30H50O4

Cucurbalsaminol A

  • Molecular FormulaC30H50O4
  • Average mass474.716 Da
  • Monoisotopic mass474.370911 Da
  • ChemSpider ID24531940
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 10 defined stereocentres


More details:






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

(1S,4S,7S,9β,12β,23E)-9,10,14-Trimethyl-4,9-cyclo-9,10-secocholesta-5,23-dien-1,7,12,25-tetrol [German] [ACD/IUPAC Name]
(1S,4S,7S,9β,12β,23E)-9,10,14-Trimethyl-4,9-cyclo-9,10-secocholesta-5,23-diene-1,7,12,25-tetrol [ACD/IUPAC Name]
(1S,4S,7S,9β,12β,23E)-9,10,14-Triméthyl-4,9-cyclo-9,10-sécocholesta-5,23-diène-1,7,12,25-tétrol [French] [ACD/IUPAC Name]
Cucurbalsaminol A [Wiki]
Estr-5-ene-3,7,12-triol, 17-[(1R,3E)-5-hydroxy-1,5-dimethyl-3-hexen-1-yl]-4,4,9,14-tetramethyl-, (3β,7β,9β,10α,12β,17β)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 592.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.5±6.0 kJ/mol
Flash Point: 242.6±24.7 °C
Index of Refraction: 1.563
Molar Refractivity: 138.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.03
ACD/LogD (pH 5.5): 4.76
ACD/BCF (pH 5.5): 2459.36
ACD/KOC (pH 5.5): 9305.64
ACD/LogD (pH 7.4): 4.76
ACD/BCF (pH 7.4): 2459.36
ACD/KOC (pH 7.4): 9305.63
Polar Surface Area: 81 Å2
Polarizability: 54.9±0.5 10-24cm3
Surface Tension: 47.8±5.0 dyne/cm
Molar Volume: 426.2±5.0 cm3

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