Found 1 result

Search term: SWFKDRQDGRRJEB (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 4-Methoxyphenyl (2E)-2-methyl-3-[(2'R,3S,4a'S,4b'S,10a'R)-4b',8',8',10a'-tetramethyl-5,5'-dioxo-3',4,4',4a',4b',5,5',8',8a',9',10',10a'-dodecahydro-2'H-spiro[furan-3,1'-phenanthren]-2'-yl]acrylate | C32H40O6

4-Methoxyphenyl (2E)-2-methyl-3-[(2'R,3S,4a'S,4b'S,10a'R)-4b',8',8',10a'-tetramethyl-5,5'-dioxo-3',4,4',4a',4b',5,5',8',8a',9',10',10a'-dodecahydro-2'H-spiro[furan-3,1'-phenanthren]-2'-yl]acrylate

  • Molecular FormulaC32H40O6
  • Average mass520.656 Da
  • Monoisotopic mass520.282471 Da
  • ChemSpider ID9561753

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(2E)-2-Méthyl-3-[(2'R,3S,4a'S,4b'S,10a'R)-4b',8',8',10a'-tétraméthyl-5,5'-dioxo-3',4,4',4a',4b',5,5',8',8a',9',10',10a'-dodécahydro-2'H-spiro[furan-3,1'-phenanthren]-2'-yl]acrylate de 4-méthoxyphényle [French] [ACD/IUPAC Name]
2-Propenoic acid, 3-[(2'R,3S,4a'S,4b'S,10a'R)-3',4,4',4'a,4'b,5,5',8',8'a,9',10',10'a-dodecahydro-4'b,8',8',10'a-tetramethyl-5,5'-dioxospiro[furan-3(2H),1'(2'H)-phenanthren]-2'-yl]-2-methyl-, 4-methox yphenyl ester, (2E)- [ACD/Index Name]
4-Methoxyphenyl (2E)-2-methyl-3-[(2'R,3S,4a'S,4b'S,10a'R)-4b',8',8',10a'-tetramethyl-5,5'-dioxo-3',4,4',4a',4b',5,5',8',8a',9',10',10a'-dodecahydro-2'H-spiro[furan-3,1'-phenanthren]-2'-yl]acrylate [ACD/IUPAC Name]
4-Methoxyphenyl-(2E)-2-methyl-3-[(2'R,3S,4a'S,4b'S,10a'R)-4b',8',8',10a'-tetramethyl-5,5'-dioxo-3',4,4',4a',4b',5,5',8',8a',9',10',10a'-dodecahydro-2'H-spiro[furan-3,1'-phenanthren]-2'-yl]acrylat [German] [ACD/IUPAC 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: 669.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.3±3.0 kJ/mol
Flash Point: 280.1±31.5 °C
Index of Refraction: 1.575
Molar Refractivity: 144.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 5.29
ACD/LogD (pH 5.5): 5.67
ACD/BCF (pH 5.5): 12051.78
ACD/KOC (pH 5.5): 29027.21
ACD/LogD (pH 7.4): 5.67
ACD/BCF (pH 7.4): 12051.78
ACD/KOC (pH 7.4): 29027.21
Polar Surface Area: 79 Å2
Polarizability: 57.1±0.5 10-24cm3
Surface Tension: 48.8±5.0 dyne/cm
Molar Volume: 436.1±5.0 cm3

Click to predict properties on the Chemicalize site


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