ChemSpider 2D Image | Carnosifloside III | C48H78O18

Carnosifloside III

  • Molecular FormulaC48H78O18
  • Average mass943.122 Da
  • Monoisotopic mass942.518799 Da
  • ChemSpider ID10128215

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 23 of 23 defined stereocentres

More details:

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

(1S,4R,9β,24E)-26-{[6-O-(β-D-Glucopyranosyl)-β-D-glucopyranosyl]oxy}-9,10,14-trimethyl-11-oxo-4,9-cyclo-9,10-secocholesta-5,24-dien-1-yl β-D-glucopyranoside [ACD/IUPAC Name]
(1S,4R,9β,24E)-26-{[6-O-(β-D-Glucopyranosyl)-β-D-glucopyranosyl]oxy}-9,10,14-trimethyl-11-oxo-4,9-cyclo-9,10-secocholesta-5,24-dien-1-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
Carnosifloside III
Estr-5-en-11-one, 17-[(1R,4E)-6-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-1,5-dimethyl-4-hexen-1-yl]-3-(β-D-glucopyranosyloxy)-4,4,9,14-tetramethyl-, (3β,9β,10α,17β)- [ACD/Index Name]
β-D-Glucopyranoside de (1S,4R,9β,24E)-26-{[6-O-(β-D-glucopyranosyl)-β-D-glucopyranosyl]oxy}-9,10,14-triméthyl-11-oxo-4,9-cyclo-9,10-sécocholesta-5,24-dién-1-yle [French] [ACD/IUPAC Name]
109985-92-4 [RN]
19-NORLANOSTA-5,24-DIEN-11-ONE,26-[(6-O-B-D-GLUCOPYRANOSYL-B-D-GLUCOPYRANOSYL)OXY]-3-(B-D-GLUCOPYRANOSYLOXY)-9-METHYL-,(3B,9B,10A,24E)-

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

C08791 [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: 1027.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 170.1±6.0 kJ/mol
Flash Point: 291.4±27.8 °C
Index of Refraction: 1.615
Molar Refractivity: 236.4±0.4 cm3
#H bond acceptors: 18
#H bond donors: 11
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 2.93
ACD/LogD (pH 5.5): 1.88
ACD/BCF (pH 5.5): 15.67
ACD/KOC (pH 5.5): 249.34
ACD/LogD (pH 7.4): 1.88
ACD/BCF (pH 7.4): 15.67
ACD/KOC (pH 7.4): 249.34
Polar Surface Area: 295 Å2
Polarizability: 93.7±0.5 10-24cm3
Surface Tension: 72.0±5.0 dyne/cm
Molar Volume: 677.4±5.0 cm3

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