ChemSpider 2D Image | (3beta,11alpha,14beta)-11,12,14-Trihydroxy-20-oxopregn-5-en-3-yl beta-D-glucopyranosyl-(1->4)-6-deoxy-3-O-methyl-beta-D-allopyranosyl-(1->4)-2,6-dideoxy-3-O-methyl-beta-D-ribo-hexopyranosyl-(1->4)-2,6 -dideoxy-3-O-methyl-beta-D-ribo-hexopyranoside | C48H78O20

(3β,11α,14β)-11,12,14-Trihydroxy-20-oxopregn-5-en-3-yl β-D-glucopyranosyl-(1->4)-6-deoxy-3-O-methyl-β-D-allopyranosyl-(1->4)-2,6-dideoxy-3-O-methyl-β-D-ribo-hexopyranosyl-(1->4)-2,6 -dideoxy-3-O-methyl-β-D-ribo-hexopyranoside

  • Molecular FormulaC48H78O20
  • Average mass975.121 Da
  • Monoisotopic mass974.508667 Da
  • ChemSpider ID10003750

  • defined stereocentres - 26 of 27 defined stereocentres

More details:

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

(3β,11α,14β)-11,12,14-Trihydroxy-20-oxopregn-5-en-3-yl β-D-glucopyranosyl-(1->4)-6-deoxy-3-O-methyl-β-D-allopyranosyl-(1->4)-2,6-dideoxy-3-O-methyl-β-D-ribo-hexopyranosyl-(1->4)-2,6 -dideoxy-3-O-methyl-β-D-ribo-hexopyranoside [ACD/IUPAC Name]
(3β,11α,14β)-11,12,14-Trihydroxy-20-oxopregn-5-en-3-yl-β-D-glucopyranosyl-(1->4)-6-desoxy-3-O-methyl-β-D-allopyranosyl-(1->4)-2,6-didesoxy-3-O-methyl-β-D-ribo-hexopyranosyl-(1->4)-2 ,6-didesoxy-3-O-methyl-β-D-ribo-hexopyranosid [German] [ACD/IUPAC Name]
Pregn-5-en-20-one, 3-[[O-β-D-glucopyranosyl-(1->4)-O-6-deoxy-3-O-methyl-β-D-allopyranosyl-(1->4)-O-2,6-dideoxy-3-O-methyl-β-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-3-O-methyl-β-D-ribo-hexo pyranosyl]oxy]-11,12,14-trihydroxy-, (3β,11α,14β)- [ACD/Index Name]
β-D-Glucopyranosyl-(1->4)-6-désoxy-3-O-méthyl-β-D-allopyranosyl-(1->4)-2,6-didésoxy-3-O-méthyl-β-D-ribo-hexopyranosyl-(1->4)-2,6-didésoxy-3-O-méthyl-β-D-ribo-hexopyranoside de (3β,11alp ha,14β)-11,12,14-trihydroxy-20-oxoprégn-5-én-3-yle [French] [ACD/IUPAC Name]
Volubiloside C

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

Density: 1.4±0.1 g/cm3
Boiling Point: 999.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 165.2±6.0 kJ/mol
Flash Point: 281.5±27.8 °C
Index of Refraction: 1.592
Molar Refractivity: 238.7±0.4 cm3
#H bond acceptors: 20
#H bond donors: 8
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 1.14
ACD/LogD (pH 5.5): 0.49
ACD/BCF (pH 5.5): 1.39
ACD/KOC (pH 5.5): 43.96
ACD/LogD (pH 7.4): 0.49
ACD/BCF (pH 7.4): 1.39
ACD/KOC (pH 7.4): 43.96
Polar Surface Area: 280 Å2
Polarizability: 94.6±0.5 10-24cm3
Surface Tension: 65.5±5.0 dyne/cm
Molar Volume: 705.3±5.0 cm3

Click to predict properties on the Chemicalize site


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