Found 3 results

Search term: GOWXUGYRPHOTEQ (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (2R,4S,8beta,9alpha,13alpha,14beta,16beta,17alpha,20xi,23E)-16,20,25-Trihydroxy-9,10,14-trimethyl-1,11,22-trioxo-4,9-cyclo-9,10-secocholesta-5,23-dien-2-yl beta-L-glucopyranoside | C36H54O12

(2R,4S,8β,9α,13α,14β,16β,17α,20ξ,23E)-16,20,25-Trihydroxy-9,10,14-trimethyl-1,11,22-trioxo-4,9-cyclo-9,10-secocholesta-5,23-dien-2-yl β-L-glucopyranoside

  • Molecular FormulaC36H54O12
  • Average mass678.807 Da
  • Monoisotopic mass678.361511 Da
  • ChemSpider ID129310478

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 13 of 14 defined stereocentres

More details:

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

(2R,4S,8β,9α,13α,14β,16β,17α,20ξ,23E)-16,20,25-Trihydroxy-9,10,14-trimethyl-1,11,22-trioxo-4,9-cyclo-9,10-secocholesta-5,23-dien-2-yl β-L-glucopyranoside [ACD/IUPAC Name]
(2R,4S,8β,9α,13α,14β,16β,17α,20ξ,23E)-16,20,25-Trihydroxy-9,10,14-trimethyl-1,11,22-trioxo-4,9-cyclo-9,10-secocholesta-5,23-dien-2-yl-β-L-glucopyranosid [German] [ACD/IUPAC Name]
Estr-5-ene-3,11-dione, 17-[(3E)-1,5-dihydroxy-1,5-dimethyl-2-oxo-3-hexen-1-yl]-2-(β-L-glucopyranosyloxy)-16-hydroxy-4,4,9,14-tetramethyl-, (2α,8α,13α,14β,16β,17α)- [ACD/Index Name]
β-L-Glucopyranoside de (2R,4S,8β,9α,13α,14β,16β,17α,20ξ,23E)-16,20,25-trihydroxy-9,10,14-triméthyl-1,11,22-trioxo-4,9-cyclo-9,10-sécocholesta-5,23-dién-2-yle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 844.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 139.6±6.0 kJ/mol
Flash Point: 258.8±27.8 °C
Index of Refraction: 1.607
Molar Refractivity: 172.5±0.4 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -0.44
ACD/LogD (pH 5.5): 0.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 25.13
ACD/LogD (pH 7.4): 0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 25.13
Polar Surface Area: 211 Å2
Polarizability: 68.4±0.5 10-24cm3
Surface Tension: 66.9±5.0 dyne/cm
Molar Volume: 499.6±5.0 cm3

Click to predict properties on the Chemicalize site


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