ChemSpider 2D Image | (2S,3R)-3-[(2'R,3S,4a'R,4b'R,7'S,10a'R)-7'-(beta-D-Glucopyranosyloxy)-4b',8',8',10a'-tetramethyl-5-oxotetradecahydro-2'H-spiro[furan-3,1'-phenanthren]-2'-yl]-1-[(2S,4R)-4-methyl-5-oxotetrahydro-2-fura nyl]-2-butanyl acetate | C38H60O12

(2S,3R)-3-[(2'R,3S,4a'R,4b'R,7'S,10a'R)-7'-(β-D-Glucopyranosyloxy)-4b',8',8',10a'-tetramethyl-5-oxotetradecahydro-2'H-spiro[furan-3,1'-phenanthren]-2'-yl]-1-[(2S,4R)-4-methyl-5-oxotetrahydro-2-fura nyl]-2-butanyl acetate

  • Molecular FormulaC38H60O12
  • Average mass708.876 Da
  • Monoisotopic mass708.408447 Da
  • ChemSpider ID8898812

  • defined stereocentres - 15 of 16 defined stereocentres

More details:

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

(2S,3R)-3-[(2'R,3S,4a'R,4b'R,7'S,10a'R)-7'-(β-D-Glucopyranosyloxy)-4b',8',8',10a'-tetramethyl-5-oxotetradecahydro-2'H-spiro[furan-3,1'-phenanthren]-2'-yl]-1-[(2S,4R)-4-methyl-5-oxotetrahydro-2-fura nyl]-2-butanyl acetate [ACD/IUPAC Name]
(2S,3R)-3-[(2'R,3S,4a'R,4b'R,7'S,10a'R)-7'-(β-D-Glucopyranosyloxy)-4b',8',8',10a'-tetramethyl-5-oxotetradecahydro-2'H-spiro[furan-3,1'-phenanthren]-2'-yl]-1-[(2S,4R)-4-methyl-5-oxotetrahydro-2-fura nyl]-2-butanyl-acetat [German] [ACD/IUPAC Name]
Acétate de (2S,3R)-3-[(2'R,3S,4a'R,4b'R,7'S,10a'R)-7'-(β-D-glucopyranosyloxy)-4b',8',8',10a'-tétraméthyl-5-oxotétradécahydro-2'H-spiro[furan-3,1'-phenanthren]-2'-yl]-1-[(2S,4R)-4-méthyl-5-oxotétrah ydro-2-furanyl]-2-butanyle [French] [ACD/IUPAC Name]
Spiro[furan-3(2H),1'(2'H)-phenanthren]-5(4H)-one, 2'-[(1R,2S)-2-(acetyloxy)-1-methyl-3-[(2S,4R)-tetrahydro-4-methyl-5-oxo-2-furanyl]propyl]-7'-(β-D-glucopyranosyloxy)dodecahydro-4'b,8',8',10'a-tetr amethyl-, (2'R,3S,4a'R,4b'R,7'S,10a'R)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 827.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 136.9±6.0 kJ/mol
Flash Point: 248.6±27.8 °C
Index of Refraction: 1.567
Molar Refractivity: 180.7±0.4 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 2.22
ACD/LogD (pH 5.5): 2.91
ACD/BCF (pH 5.5): 96.75
ACD/KOC (pH 5.5): 918.20
ACD/LogD (pH 7.4): 2.91
ACD/BCF (pH 7.4): 96.75
ACD/KOC (pH 7.4): 918.19
Polar Surface Area: 178 Å2
Polarizability: 71.6±0.5 10-24cm3
Surface Tension: 56.8±5.0 dyne/cm
Molar Volume: 553.5±5.0 cm3

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