ChemSpider 2D Image | (1alpha,3alpha,5alpha,6alpha,7alpha,13alpha,17alpha)-17-(3-Furyl)-6-hydroxy-4,4,8-trimethylandrost-14-ene-1,3,7-triyl triacetate | C32H44O8

(1α,3α,5α,6α,7α,13α,17α)-17-(3-Furyl)-6-hydroxy-4,4,8-trimethylandrost-14-ene-1,3,7-triyl triacetate

  • Molecular FormulaC32H44O8
  • Average mass556.687 Da
  • Monoisotopic mass556.303589 Da
  • ChemSpider ID28287929

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1α,3α,5α,6α,7α,13α,17α)-17-(3-Furyl)-6-hydroxy-4,4,8-trimethylandrost-14-en-1,3,7-triyl-triacetat [German] [ACD/IUPAC Name]
(1α,3α,5α,6α,7α,13α,17α)-17-(3-Furyl)-6-hydroxy-4,4,8-trimethylandrost-14-ene-1,3,7-triyl triacetate [ACD/IUPAC Name]
Androst-14-ene-1,3,6,7-tetrol, 17-(3-furanyl)-4,4,8-trimethyl-, 1,3,7-triacetate, (1α,3α,5α,6α,7α,13α,17α)- [ACD/Index Name]
Triacétate de (1α,3α,5α,6α,7α,13α,17α)-17-(3-furyl)-6-hydroxy-4,4,8-triméthylandrost-14-ène-1,3,7-triyle [French] [ACD/IUPAC Name]
mesendanin B

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

Density: 1.2±0.1 g/cm3
Boiling Point: 581.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.5±3.0 kJ/mol
Flash Point: 305.7±30.1 °C
Index of Refraction: 1.557
Molar Refractivity: 147.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.49
ACD/LogD (pH 5.5): 5.52
ACD/BCF (pH 5.5): 9164.66
ACD/KOC (pH 5.5): 23860.12
ACD/LogD (pH 7.4): 5.52
ACD/BCF (pH 7.4): 9164.65
ACD/KOC (pH 7.4): 23860.10
Polar Surface Area: 112 Å2
Polarizability: 58.4±0.5 10-24cm3
Surface Tension: 49.1±5.0 dyne/cm
Molar Volume: 457.6±5.0 cm3

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