ChemSpider 2D Image | (4S,8beta,9beta,13alpha,16alpha,24S)-2,25-Dihydroxy-9,10,14-trimethyl-16,24-epoxy-4,9-cyclo-9,10-secocholesta-2,5-diene-1,11,22-trione | C30H42O6

(4S,8β,9β,13α,16α,24S)-2,25-Dihydroxy-9,10,14-trimethyl-16,24-epoxy-4,9-cyclo-9,10-secocholesta-2,5-diene-1,11,22-trione

  • Molecular FormulaC30H42O6
  • Average mass498.651 Da
  • Monoisotopic mass498.298126 Da
  • ChemSpider ID114815377

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(4S,8β,9β,13α,16α,24S)-2,25-Dihydroxy-9,10,14-trimethyl-16,24-epoxy-4,9-cyclo-9,10-secocholesta-2,5-dien-1,11,22-trion [German] [ACD/IUPAC Name]
(4S,8β,9β,13α,16α,24S)-2,25-Dihydroxy-9,10,14-trimethyl-16,24-epoxy-4,9-cyclo-9,10-secocholesta-2,5-diene-1,11,22-trione [ACD/IUPAC Name]
(4S,8β,9β,13α,16α,24S)-2,25-Dihydroxy-9,10,14-triméthyl-16,24-époxy-4,9-cyclo-9,10-sécocholesta-2,5-diène-1,11,22-trione [French] [ACD/IUPAC Name]
1H-Naphth[2',1':4,5]indeno[2,1-b]oxepin-2,5,8(4bH)-trione, 4a,6,6a,6b,7,9,10,11a,12,12a,12b,13-dodecahydro-3-hydroxy-10-(1-hydroxy-1-methylethyl)-1,1,4b,6a,7,12a-hexamethyl-, (4aS,4bR,6aS,6bR,7S,10S,1 1aR,12aS,12bR)- [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: 650.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 109.8±6.0 kJ/mol
Flash Point: 208.8±25.0 °C
Index of Refraction: 1.576
Molar Refractivity: 135.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.61
ACD/LogD (pH 5.5): 3.52
ACD/BCF (pH 5.5): 278.97
ACD/KOC (pH 5.5): 1958.97
ACD/LogD (pH 7.4): 3.49
ACD/BCF (pH 7.4): 260.52
ACD/KOC (pH 7.4): 1829.38
Polar Surface Area: 101 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 51.0±5.0 dyne/cm
Molar Volume: 408.4±5.0 cm3

Click to predict properties on the Chemicalize site


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