ChemSpider 2D Image | (1alpha,3alpha,7alpha,9xi,13alpha,14beta,15beta,17alpha)-17-(3-Furyl)-4,4,8-trimethyl-16-oxo-14,15-epoxyandrostane-1,3,7-triyl triacetate | C32H42O9

(1α,3α,7α,9ξ,13α,14β,15β,17α)-17-(3-Furyl)-4,4,8-trimethyl-16-oxo-14,15-epoxyandrostane-1,3,7-triyl triacetate

  • Molecular FormulaC32H42O9
  • Average mass570.670 Da
  • Monoisotopic mass570.282898 Da
  • ChemSpider ID5140682

  • defined stereocentres - 9 of 11 defined stereocentres

More details:

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

(1α,3α,7α,9ξ,13α,14β,15β,17α)-17-(3-Furyl)-4,4,8-trimethyl-16-oxo-14,15-epoxyandrostan-1,3,7-triyl-triacetat [German] [ACD/IUPAC Name]
(1α,3α,7α,9ξ,13α,14β,15β,17α)-17-(3-Furyl)-4,4,8-trimethyl-16-oxo-14,15-epoxyandrostane-1,3,7-triyl triacetate [ACD/IUPAC Name]
Androstan-16-one, 1,3,7-tris(acetyloxy)-14,15-epoxy-17-(3-furanyl)-4,4,8-trimethyl-, (1α,3α,7α,9ξ,13α,14β,15β,17α)- [ACD/Index Name]
Triacétate de (1α,3α,7α,9ξ,13α,14β,15β,17α)-17-(3-furyl)-4,4,8-triméthyl-16-oxo-14,15-époxyandrostane-1,3,7-triyle [French] [ACD/IUPAC Name]
25279-68-9 [RN]
KHAYANTHONE

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

DivK1c_006149 [DBID]
KBio1_001093 [DBID]
KBio2_001014 [DBID]
KBio2_003582 [DBID]
KBio2_006150 [DBID]
KBio3_000753 [DBID]
KBioGR_001673 [DBID]
KBioSS_001014 [DBID]
SDCCGMLS-0066297.P001 [DBID]
SPBio_000315 [DBID]
More...

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

Density: 1.3±0.1 g/cm3
Boiling Point: 612.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 90.9±3.0 kJ/mol
Flash Point: 324.2±31.5 °C
Index of Refraction: 1.560
Molar Refractivity: 146.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.06
ACD/LogD (pH 5.5): 4.34
ACD/BCF (pH 5.5): 1165.97
ACD/KOC (pH 5.5): 5454.23
ACD/LogD (pH 7.4): 4.34
ACD/BCF (pH 7.4): 1165.97
ACD/KOC (pH 7.4): 5454.23
Polar Surface Area: 122 Å2
Polarizability: 57.9±0.5 10-24cm3
Surface Tension: 50.3±5.0 dyne/cm
Molar Volume: 451.5±5.0 cm3

Click to predict properties on the Chemicalize site


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