ChemSpider 2D Image | (1S,3R,5Z,7E,23S,24R)-1,3-Dihydroxy-24-phenyl-23,26-epoxy-9,10-secocholesta-5,7,10,25(27)-tetraen-26-one | C33H42O4

(1S,3R,5Z,7E,23S,24R)-1,3-Dihydroxy-24-phenyl-23,26-epoxy-9,10-secocholesta-5,7,10,25(27)-tetraen-26-one

  • Molecular FormulaC33H42O4
  • Average mass502.684 Da
  • Monoisotopic mass502.308319 Da
  • ChemSpider ID9671842

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1S,3R,5Z,7E,23S,24R)-1,3-Dihydroxy-24-phenyl-23,26-epoxy-9,10-secocholesta-5,7,10,25(27)-tetraen-26-on [German] [ACD/IUPAC Name]
(1S,3R,5Z,7E,23S,24R)-1,3-Dihydroxy-24-phenyl-23,26-epoxy-9,10-secocholesta-5,7,10,25(27)-tetraen-26-one [ACD/IUPAC Name]
(1S,3R,5Z,7E,23S,24R)-1,3-Dihydroxy-24-phényl-23,26-époxy-9,10-sécocholesta-5,7,10,25(27)-tétraén-26-one [French] [ACD/IUPAC Name]
2(3H)-Furanone, 5-[(2R)-2-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylenecyclohexylidene]ethylidene]octahydro-7a-methyl-1H-inden-1-yl]propyl]dihydro-3-methylene-4-phenyl-, (4R,5S)- [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: 689.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.2±3.0 kJ/mol
Flash Point: 220.3±25.0 °C
Index of Refraction: 1.594
Molar Refractivity: 146.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 6.70
ACD/LogD (pH 5.5): 6.20
ACD/BCF (pH 5.5): 30512.21
ACD/KOC (pH 5.5): 56437.88
ACD/LogD (pH 7.4): 6.20
ACD/BCF (pH 7.4): 30512.21
ACD/KOC (pH 7.4): 56437.88
Polar Surface Area: 67 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 49.4±5.0 dyne/cm
Molar Volume: 433.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement