ChemSpider 2D Image | Tenacissoside G | C42H64O14

Tenacissoside G

  • Molecular FormulaC42H64O14
  • Average mass792.949 Da
  • Monoisotopic mass792.429626 Da
  • ChemSpider ID58807053

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 18 of 19 defined stereocentres

More details:

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

(2E)-2-Méthyl-2-buténoate de (3β,5α,8ξ,11α,12β,14β,17α)-12-acétoxy-3-{[2,6-didésoxy-4-O-(6-désoxy-3-O-méthyl-β-D-allopyranosyl)-3-O-méthyl-α-D-arabino-hexopyranosyl]oxy}-2 0-oxo-8,14-époxyprégnan-11-yle [French] [ACD/IUPAC Name]
(3β,5α,8ξ,11α,12β,14β,17α)-12-Acetoxy-3-{[2,6-dideoxy-4-O-(6-deoxy-3-O-methyl-β-D-allopyranosyl)-3-O-methyl-α-D-arabino-hexopyranosyl]oxy}-20-oxo-8,14-epoxypregnan-11-yl ( 2E)-2-methyl-2-butenoate [ACD/IUPAC Name]
(3β,5α,8ξ,11α,12β,14β,17α)-12-Acetoxy-3-{[2,6-didesoxy-4-O-(6-desoxy-3-O-methyl-β-D-allopyranosyl)-3-O-methyl-α-D-arabino-hexopyranosyl]oxy}-20-oxo-8,14-epoxypregnan-11-yl -(2E)-2-methyl-2-butenoat [German] [ACD/IUPAC Name]
191729-43-8 [RN]
2-Butenoic acid, 2-methyl-, (3β,5α,8ξ,11α,12β,14β,17α)-12-(acetyloxy)-3-[[2,6-dideoxy-4-O-(6-deoxy-3-O-methyl-β-D-allopyranosyl)-3-O-methyl-α-D-arabino-hexopyranosyl]oxy]- 8,14-epoxy-20-oxopregnan-11-yl ester, (2E)- [ACD/Index Name]
Tenacissoside G
(1R,3aR,6aS,8S,10aS,10bS,11S,12S,12aS)-12-acetoxy-1-acetyl-8-(((2S,4R,5R,6R)-5-(((2S,3R,4R,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-10a,12a-dimethyltetradecahydro-1H-cyclopenta[1,2]phenanthro[1,10a-b]oxiren-11-yl (E)-2-methylbut-2-enoate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 821.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 135.9±6.0 kJ/mol
Flash Point: 238.4±27.8 °C
Index of Refraction: 1.558
Molar Refractivity: 200.7±0.4 cm3
#H bond acceptors: 14
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 5.01
ACD/LogD (pH 5.5): 3.84
ACD/BCF (pH 5.5): 489.52
ACD/KOC (pH 5.5): 2930.49
ACD/LogD (pH 7.4): 3.84
ACD/BCF (pH 7.4): 489.52
ACD/KOC (pH 7.4): 2930.48
Polar Surface Area: 178 Å2
Polarizability: 79.6±0.5 10-24cm3
Surface Tension: 52.8±5.0 dyne/cm
Molar Volume: 622.2±5.0 cm3

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