ChemSpider 2D Image | (2S,3R)-3-[(2'R,3S,4a'R,4b'R,7'S,10a'R)-7'-Hydroxy-4b',8',8',10a'-tetramethyl-5-oxotetradecahydro-2'H-spiro[furan-3,1'-phenanthren]-2'-yl]-1-[(2R)-4-methyl-5-oxo-2,5-dihydro-2-furanyl]-2-butanyl aceta te | C32H48O7

(2S,3R)-3-[(2'R,3S,4a'R,4b'R,7'S,10a'R)-7'-Hydroxy-4b',8',8',10a'-tetramethyl-5-oxotetradecahydro-2'H-spiro[furan-3,1'-phenanthren]-2'-yl]-1-[(2R)-4-methyl-5-oxo-2,5-dihydro-2-furanyl]-2-butanyl aceta te

  • Molecular FormulaC32H48O7
  • Average mass544.719 Da
  • Monoisotopic mass544.340027 Da
  • ChemSpider ID8657939

  • defined stereocentres - 9 of 10 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'-Hydroxy-4b',8',8',10a'-tetramethyl-5-oxotetradecahydro-2'H-spiro[furan-3,1'-phenanthren]-2'-yl]-1-[(2R)-4-methyl-5-oxo-2,5-dihydro-2-furanyl]-2-butanyl aceta te [ACD/IUPAC Name]
(2S,3R)-3-[(2'R,3S,4a'R,4b'R,7'S,10a'R)-7'-Hydroxy-4b',8',8',10a'-tetramethyl-5-oxotetradecahydro-2'H-spiro[furan-3,1'-phenanthren]-2'-yl]-1-[(2R)-4-methyl-5-oxo-2,5-dihydro-2-furanyl]-2-butanyl-aceta t [German] [ACD/IUPAC Name]
Acétate de (2S,3R)-3-[(2'R,3S,4a'R,4b'R,7'S,10a'R)-7'-hydroxy-4b',8',8',10a'-tétraméthyl-5-oxotétradécahydro-2'H-spiro[furan-3,1'-phenanthren]-2'-yl]-1-[(2R)-4-méthyl-5-oxo-2,5-dihydro-2-furanyl]-2-bu tanyle [French] [ACD/IUPAC Name]
Spiro[furan-3(2H),1'(2'H)-phenanthren]-5(4H)-one, 2'-[(1R,2S)-2-(acetyloxy)-3-[(2R)-2,5-dihydro-4-methyl-5-oxo-2-furanyl]-1-methylpropyl]dodecahydro-7'-hydroxy-4'b,8',8',10'a-tetramethyl-, (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: 1.2±0.1 g/cm3
Boiling Point: 675.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 113.5±6.0 kJ/mol
Flash Point: 211.3±25.0 °C
Index of Refraction: 1.547
Molar Refractivity: 146.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.29
ACD/LogD (pH 5.5): 4.91
ACD/BCF (pH 5.5): 3152.52
ACD/KOC (pH 5.5): 11115.62
ACD/LogD (pH 7.4): 4.91
ACD/BCF (pH 7.4): 3152.52
ACD/KOC (pH 7.4): 11115.62
Polar Surface Area: 99 Å2
Polarizability: 58.1±0.5 10-24cm3
Surface Tension: 47.4±5.0 dyne/cm
Molar Volume: 462.3±5.0 cm3

Click to predict properties on the Chemicalize site


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