ChemSpider 2D Image | 16-Hydroxy-9,10,14-trimethyl-11,22-dioxo-20,24-epoxy-4,9-cyclo-9,10-secocholesta-5,23-dien-1-yl 2-O-(6-deoxyhexopyranosyl)hexopyranoside | C42H64O14

16-Hydroxy-9,10,14-trimethyl-11,22-dioxo-20,24-epoxy-4,9-cyclo-9,10-secocholesta-5,23-dien-1-yl 2-O-(6-deoxyhexopyranosyl)hexopyranoside

  • Molecular FormulaC42H64O14
  • Average mass792.949 Da
  • Monoisotopic mass792.429626 Da
  • ChemSpider ID304279

More details:

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

16-Hydroxy-9,10,14-trimethyl-11,22-dioxo-20,24-epoxy-4,9-cyclo-9,10-secocholesta-5,23-dien-1-yl 2-O-(6-deoxyhexopyranosyl)hexopyranoside [ACD/IUPAC Name]
16-Hydroxy-9,10,14-trimethyl-11,22-dioxo-20,24-epoxy-4,9-cyclo-9,10-secocholesta-5,23-dien-1-yl-2-O-(6-desoxyhexopyranosyl)hexopyranosid [German] [ACD/IUPAC Name]
2-O-(6-Désoxyhexopyranosyl)hexopyranoside de 16-hydroxy-9,10,14-triméthyl-11,22-dioxo-20,24-époxy-4,9-cyclo-9,10-sécocholesta-5,23-dién-1-yle [French] [ACD/IUPAC Name]
Estr-5-en-11-one, 3-[[2-O-(6-deoxyhexopyranosyl)hexopyranosyl]oxy]-17-[2,3-dihydro-2-methyl-5-(1-methylethyl)-3-oxo-2-furanyl]-16-hydroxy-4,4,9,14-tetramethyl- [ACD/Index Name]
Picfeltarraenin IB

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

NCI60_003660 [DBID]
NSC382611 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 895.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 147.9±6.0 kJ/mol
Flash Point: 264.0±27.8 °C
Index of Refraction: 1.607
Molar Refractivity: 201.0±0.4 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 4
ACD/LogP: 5.53
ACD/LogD (pH 5.5): 3.53
ACD/BCF (pH 5.5): 283.01
ACD/KOC (pH 5.5): 1979.72
ACD/LogD (pH 7.4): 3.53
ACD/BCF (pH 7.4): 283.01
ACD/KOC (pH 7.4): 1979.70
Polar Surface Area: 222 Å2
Polarizability: 79.7±0.5 10-24cm3
Surface Tension: 65.2±5.0 dyne/cm
Molar Volume: 582.0±5.0 cm3

Click to predict properties on the Chemicalize site


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