Found 23 results

Search term: MF = 'C_{54}H_{90}O_{24}'
ChemSpider 2D Image | (1S,4R,9beta,24R)-1-{[6-O-(beta-D-Glucopyranosyl)-beta-D-glucopyranosyl]oxy}-25-hydroxy-9,10,14-trimethyl-11-oxo-4,9-cyclo-9,10-secocholest-5-en-24-yl 6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside | C54H90O24

(1S,4R,9β,24R)-1-{[6-O-(β-D-Glucopyranosyl)-β-D-glucopyranosyl]oxy}-25-hydroxy-9,10,14-trimethyl-11-oxo-4,9-cyclo-9,10-secocholest-5-en-24-yl 6-O-β-D-glucopyranosyl-β-D-glucopyranoside

  • Molecular FormulaC54H90O24
  • Average mass1123.278 Da
  • Monoisotopic mass1122.582153 Da
  • ChemSpider ID23283173

  • defined stereocentres - 29 of 29 defined stereocentres

More details:

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

(1S,4R,9β,24R)-1-{[6-O-(β-D-Glucopyranosyl)-β-D-glucopyranosyl]oxy}-25-hydroxy-9,10,14-trimethyl-11-oxo-4,9-cyclo-9,10-secocholest-5-en-24-yl 6-O-β-D-glucopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
(1S,4R,9β,24R)-1-{[6-O-(β-D-Glucopyranosyl)-β-D-glucopyranosyl]oxy}-25-hydroxy-9,10,14-trimethyl-11-oxo-4,9-cyclo-9,10-secocholest-5-en-24-yl-6-O-β-D-glucopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-β-D-Glucopyranosyl-β-D-glucopyranoside de (1S,4R,9β,24R)-1-{[6-O-(β-D-glucopyranosyl)-β-D-glucopyranosyl]oxy}-25-hydroxy-9,10,14-triméthyl-11-oxo-4,9-cyclo-9,10-sécocholest-5-én-24- yle [French] [ACD/IUPAC Name]
Estr-5-en-11-one, 3-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-17-[(1R,4R)-4-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-5-hydroxy-1,5-dimethylhexyl]-4,4,9,14-tetramethyl-, (3be
 ta,9β,10α,17β)- [ACD/Index Name]
estr-5-en-11-one, 3-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-17-[(1R,4R)-4-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-5-hydroxy-1,5-dimethylhexyl]-4,4,9,14-tetramethyl-, (3β,9β,10α,17β)-
11-oxomogrol 3,24-di-O-β-D-glucopyranosyl-(1->6)-β-D-glucopyranoside
11-OXOMOGROSIDE IV A
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL389648/

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

Density: 1.5±0.1 g/cm3
Boiling Point: 1178.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 196.9±6.0 kJ/mol
Flash Point: 323.5±27.8 °C
Index of Refraction: 1.629
Molar Refractivity: 272.0±0.4 cm3
#H bond acceptors: 24
#H bond donors: 15
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 0.91
ACD/LogD (pH 5.5): -0.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 14.47
ACD/LogD (pH 7.4): -0.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 14.47
Polar Surface Area: 394 Å2
Polarizability: 107.8±0.5 10-24cm3
Surface Tension: 80.7±5.0 dyne/cm
Molar Volume: 765.0±5.0 cm3

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