ChemSpider 2D Image | (1alpha,5alpha,7alpha,13alpha,17alpha)-17-[(3R)-5-Hydroxytetrahydro-3-furanyl]-4,4,8-trimethyl-3-oxoandrost-14-ene-1,7-diyl diacetate | C30H44O7

(1α,5α,7α,13α,17α)-17-[(3R)-5-Hydroxytetrahydro-3-furanyl]-4,4,8-trimethyl-3-oxoandrost-14-ene-1,7-diyl diacetate

  • Molecular FormulaC30H44O7
  • Average mass516.666 Da
  • Monoisotopic mass516.308716 Da
  • ChemSpider ID28287940

  • defined stereocentres - 8 of 10 defined stereocentres

More details:

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(1α,5α,7α,13α,17α)-17-[(3R)-5-Hydroxytetrahydro-3-furanyl]-4,4,8-trimethyl-3-oxoandrost-14-en-1,7-diyl-diacetat [German] [ACD/IUPAC Name]
(1α,5α,7α,13α,17α)-17-[(3R)-5-Hydroxytetrahydro-3-furanyl]-4,4,8-trimethyl-3-oxoandrost-14-ene-1,7-diyl diacetate [ACD/IUPAC Name]
Androst-14-en-3-one, 1,7-bis(acetyloxy)-4,4,8-trimethyl-17-[(3R)-tetrahydro-5-hydroxy-3-furanyl]-, (1α,5α,7α,13α,17α)- [ACD/Index Name]
Diacétate de (1α,5α,7α,13α,17α)-17-[(3R)-5-hydroxytétrahydro-3-furanyl]-4,4,8-triméthyl-3-oxoandrost-14-ène-1,7-diyle [French] [ACD/IUPAC Name]
NEEMFRUITIN A

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

Density: 1.2±0.1 g/cm3
Boiling Point: 594.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.6±6.0 kJ/mol
Flash Point: 184.9±23.6 °C
Index of Refraction: 1.552
Molar Refractivity: 137.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 3.60
ACD/LogD (pH 5.5): 3.86
ACD/BCF (pH 5.5): 500.77
ACD/KOC (pH 5.5): 2978.52
ACD/LogD (pH 7.4): 3.86
ACD/BCF (pH 7.4): 500.76
ACD/KOC (pH 7.4): 2978.52
Polar Surface Area: 99 Å2
Polarizability: 54.5±0.5 10-24cm3
Surface Tension: 48.1±5.0 dyne/cm
Molar Volume: 430.1±5.0 cm3

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