ChemSpider 2D Image | (7beta,11beta,13alpha)-7-Hydroxy-9,11-epoxybeyer-15-en-17-yl 4-bromobenzoate | C27H33BrO4

(7β,11β,13α)-7-Hydroxy-9,11-epoxybeyer-15-en-17-yl 4-bromobenzoate

  • Molecular FormulaC27H33BrO4
  • Average mass501.453 Da
  • Monoisotopic mass500.156219 Da
  • ChemSpider ID2340487
  • defined stereocentres - 6 of 7 defined stereocentres


More details:






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

(7β,11β,13α)-7-Hydroxy-9,11-epoxybeyer-15-en-17-yl 4-bromobenzoate [ACD/IUPAC Name]
4-Bromobenzoate de (7β,11β,13α)-7-hydroxy-9,11-époxybeyer-15-én-17-yle [French] [ACD/IUPAC Name]
134513-16-9 [RN]
17-(4-bromobenzoyloxy)-9,11-epoxy-7-hydroxybeyerene
17-(4-Bromobenzoyloxy)-9β,11β-epoxy-7β-hydroxy-ent-beyerene
17-Bbehb
17-Norkaur-15-ene-13, methanol, 9,11-epoxy-7-hydroxy-, α-(4-bromobenzoate), (7β,8β,11β,13β)-
17-Norkaur-15-ene-13-methanol,9,11-epoxy-7-hydroxy-, a-(4-bromobenzoate), (7b,8b,11b,13b)- (9CI)

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

Density: 1.4±0.1 g/cm3
Boiling Point: 589.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.6±3.0 kJ/mol
Flash Point: 310.4±30.1 °C
Index of Refraction: 1.632
Molar Refractivity: 126.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 6.44
ACD/LogD (pH 5.5): 6.27
ACD/BCF (pH 5.5): 34445.07
ACD/KOC (pH 5.5): 61554.45
ACD/LogD (pH 7.4): 6.27
ACD/BCF (pH 7.4): 34445.07
ACD/KOC (pH 7.4): 61554.45
Polar Surface Area: 59 Å2
Polarizability: 50.2±0.5 10-24cm3
Surface Tension: 56.8±5.0 dyne/cm
Molar Volume: 354.9±5.0 cm3

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