ChemSpider 2D Image | (4R,9beta,16alpha,23R,24R)-20,24,25-Trihydroxy-9,10,14-trimethyl-1,11-dioxo-16,23-epoxy-4,9-cyclo-9,10-secocholesta-2,5-dien-2-yl 2-O-(6-deoxy-beta-D-gulopyranosyl)-beta-D-allopyranoside | C42H64O16

(4R,9β,16α,23R,24R)-20,24,25-Trihydroxy-9,10,14-trimethyl-1,11-dioxo-16,23-epoxy-4,9-cyclo-9,10-secocholesta-2,5-dien-2-yl 2-O-(6-deoxy-β-D-gulopyranosyl)-β-D-allopyranoside

  • Molecular FormulaC42H64O16
  • Average mass824.948 Da
  • Monoisotopic mass824.419434 Da
  • ChemSpider ID4884862

  • defined stereocentres - 19 of 20 defined stereocentres

More details:

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

(4R,9β,16α,23R,24R)-20,24,25-Trihydroxy-9,10,14-trimethyl-1,11-dioxo-16,23-epoxy-4,9-cyclo-9,10-secocholesta-2,5-dien-2-yl 2-O-(6-deoxy-β-D-gulopyranosyl)-β-D-allopyranoside [ACD/IUPAC Name]
(4R,9β,16α,23R,24R)-20,24,25-Trihydroxy-9,10,14-trimethyl-1,11-dioxo-16,23-epoxy-4,9-cyclo-9,10-secocholesta-2,5-dien-2-yl-2-O-(6-desoxy-β-D-gulopyranosyl)-β-D-allopyranosid [German] [ACD/IUPAC Name]
2-O-(6-Désoxy-β-D-gulopyranosyl)-β-D-allopyranoside de (4R,9β,16α,23R,24R)-20,24,25-trihydroxy-9,10,14-triméthyl-1,11-dioxo-16,23-époxy-4,9-cyclo-9,10-sécocholesta-2,5-dién-2-yle [French] [ACD/IUPAC Name]
Naphth[2',1':4,5]indeno[2,1-b]pyran-2,5-dione, 3-[[2-O-(6-deoxy-β-D-gulopyranosyl)-β-D-allopyranosyl]oxy]-9-[(1R)-1,2-dihydroxy-2-methylpropyl]-1,4a,4b,6,6a,6b,7,8,9,10a,11,11a,11b,12-tetradecah ydro-7-hydroxy-1,1,4b,6a,7,11a-hexamethyl-, (4aR,4bR,6aR,6bR,7S,9R,10aR,11aS,11bS)- [ACD/Index Name]
Khekadaengoside J

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

Density: 1.4±0.1 g/cm3
Boiling Point: 990.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 163.7±6.0 kJ/mol
Flash Point: 293.8±27.8 °C
Index of Refraction: 1.626
Molar Refractivity: 204.0±0.4 cm3
#H bond acceptors: 16
#H bond donors: 9
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 3.10
ACD/LogD (pH 5.5): 1.82
ACD/BCF (pH 5.5): 14.33
ACD/KOC (pH 5.5): 233.92
ACD/LogD (pH 7.4): 1.82
ACD/BCF (pH 7.4): 14.33
ACD/KOC (pH 7.4): 233.92
Polar Surface Area: 262 Å2
Polarizability: 80.9±0.5 10-24cm3
Surface Tension: 72.8±5.0 dyne/cm
Molar Volume: 576.6±5.0 cm3

Click to predict properties on the Chemicalize site


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