ChemSpider 2D Image | (1S,4R,9beta,16alpha,23R,24E)-1,20-Dihydroxy-9,10,14-trimethyl-11-oxo-16,23-epoxy-4,9-cyclo-9,10-secocholesta-5,24-dien-26-al | C30H44O5

(1S,4R,9β,16α,23R,24E)-1,20-Dihydroxy-9,10,14-trimethyl-11-oxo-16,23-epoxy-4,9-cyclo-9,10-secocholesta-5,24-dien-26-al

  • Molecular FormulaC30H44O5
  • Average mass484.667 Da
  • Monoisotopic mass484.318878 Da
  • ChemSpider ID28531988

  • 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,4R,9β,16α,23R,24E)-1,20-Dihydroxy-9,10,14-trimethyl-11-oxo-16,23-epoxy-4,9-cyclo-9,10-secocholesta-5,24-dien-26-al [German] [ACD/IUPAC Name]
(1S,4R,9β,16α,23R,24E)-1,20-Dihydroxy-9,10,14-trimethyl-11-oxo-16,23-epoxy-4,9-cyclo-9,10-secocholesta-5,24-dien-26-al [ACD/IUPAC Name]
(1S,4R,9β,16α,23R,24E)-1,20-Dihydroxy-9,10,14-triméthyl-11-oxo-16,23-époxy-4,9-cyclo-9,10-sécocholesta-5,24-dién-26-al [French] [ACD/IUPAC Name]
2-Propenal, 2-methyl-3-[(2S,4aR,4bR,6aR,6bR,7S,9R,10aR,11aS,11bS)-1,2,3,4,4a,4b,5,6,6a,6b,7,8,9,10a,11,11a,11b,12-octadecahydro-2,7-dihydroxy-1,1,4b,6a,7,11a-hexamethyl-5-oxonaphth[2',1':4,5]indeno[2, 1-b]pyran-9-yl]-, (2E)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 623.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 105.9±6.0 kJ/mol
Flash Point: 198.7±25.0 °C
Index of Refraction: 1.571
Molar Refractivity: 135.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.88
ACD/LogD (pH 5.5): 4.09
ACD/BCF (pH 5.5): 758.06
ACD/KOC (pH 5.5): 4007.67
ACD/LogD (pH 7.4): 4.09
ACD/BCF (pH 7.4): 758.06
ACD/KOC (pH 7.4): 4007.67
Polar Surface Area: 84 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 49.1±5.0 dyne/cm
Molar Volume: 411.8±5.0 cm3

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