ChemSpider 2D Image | (1R,3aS,3bS,5aR,7S,9aR,10aS,12aR)-7-{[(2R,3R,4S,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-2-yl]oxy}
-1-{(1S)-1-[(2R,4S)-4-hydroxy-5-methyl-5-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}methyl)tetrahydro-2-furanyl]ethyl}-3a,6,6,12a-tetramethyltetradecahydro-2H-c
yclopenta[a]cyclopropa[e]phenanthren-2-one | C48H78O20

(1R,3aS,3bS,5aR,7S,9aR,10aS,12aR)-7-{[(2R,3R,4S,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-2-yl]oxy} -1-{(1S)-1-[(2R,4S)-4-hydroxy-5-methyl-5-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}methyl)tetrahydro-2-furanyl]ethyl}-3a,6,6,12a-tetramethyltetradecahydro-2H-c yclopenta[a]cyclopropa[e]phenanthren-2-one

  • Molecular FormulaC48H78O20
  • Average mass975.121 Da
  • Monoisotopic mass974.508667 Da
  • ChemSpider ID9106317
  • defined stereocentres - 26 of 27 defined stereocentres


More details:






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

(1R,3aS,3bS,5aR,7S,9aR,10aS,12aR)-7-{[(2R,3R,4S,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-2-yl]oxy} -1-{(1S)-1-[(2R,4S)-4-hydroxy-5-methyl-5-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}methyl)tetrahydro-2-furanyl]ethyl}-3a,6,6,12a-tetramethyltetradecahydro-2H-c yclopenta[a]cyclopropa[e]phenanthren-2-on [German] [ACD/IUPAC Name]
(1R,3aS,3bS,5aR,7S,9aR,10aS,12aR)-7-{[(2R,3R,4S,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-2-yl]oxy} -1-{(1S)-1-[(2R,4S)-4-hydroxy-5-methyl-5-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}methyl)tetrahydro-2-furanyl]ethyl}-3a,6,6,12a-tetramethyltetradecahydro-2H-c yclopenta[a]cyclopropa[e]phenanthren-2-one [ACD/IUPAC Name]
(1R,3aS,3bS,5aR,7S,9aR,10aS,12aR)-7-{[(2R,3R,4S,5S,6R)-4,5-Dihydroxy-6-(hydroxyméthyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-2-yl]oxy}tétrahydro-2H-pyran-2-yl]oxy} -1-{(1S)-1-[(2R,4S)-4-hydroxy-5-méthyl-5-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-2-yl]oxy}méthyl)tétrahydro-2-furanyl]éthyl}-3a,6,6,12a-tétraméthyltétradécahydro-2H-c yclopenta[a]cyclopropa[e]phénanthrén-2-one [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.637
Molar Refractivity: 236.2±0.4 cm3
#H bond acceptors: 20
#H bond donors: 12
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -0.35
ACD/LogD (pH 5.5): -1.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.93
ACD/LogD (pH 7.4): -1.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.93
Polar Surface Area: 324 Å2
Polarizability: 93.6±0.5 10-24cm3
Surface Tension: 80.5±5.0 dyne/cm
Molar Volume: 658.4±5.0 cm3

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