ChemSpider 2D Image | asperversin B | C23H30O8

asperversin B

  • Molecular FormulaC23H30O8
  • Average mass434.479 Da
  • Monoisotopic mass434.194061 Da
  • ChemSpider ID71049002

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

[(1S,3aS,4R,5aR,11aR,11bR)-4-Acetoxy-3,3,5a,8,11b-pentamethyl-10-oxo-1,3a,4,5,5a,11,11a,11b-octahydro-3H,10H-furo[3,4-f]pyrano[4,3-b]chromen-1-yl]acetic acid [ACD/IUPAC Name]
[(1S,3aS,4R,5aR,11aR,11bR)-4-Acetoxy-3,3,5a,8,11b-pentamethyl-10-oxo-1,3a,4,5,5a,11,11a,11b-octahydro-3H,10H-furo[3,4-f]pyrano[4,3-b]chromen-1-yl]essigsäure [German] [ACD/IUPAC Name]
3H,10H-Furo[3,4-f]pyrano[4,3-b][1]benzopyran-1-acetic acid, 4-(acetyloxy)-1,3a,4,5,5a,11,11a,11b-octahydro-3,3,5a,8,11b-pentamethyl-10-oxo-, (1S,3aS,4R,5aR,11aR,11bR)- [ACD/Index Name]
Acide [(1S,3aS,4R,5aR,11aR,11bR)-4-acétoxy-3,3,5a,8,11b-pentaméthyl-10-oxo-1,3a,4,5,5a,11,11a,11b-octahydro-3H,10H-furo[3,4-f]pyrano[4,3-b]chromén-1-yl]acétique [French] [ACD/IUPAC Name]
asperversin B

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

Density: 1.3±0.1 g/cm3
Boiling Point: 575.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 94.2±6.0 kJ/mol
Flash Point: 194.1±23.6 °C
Index of Refraction: 1.564
Molar Refractivity: 108.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.85
ACD/LogD (pH 5.5): 1.30
ACD/BCF (pH 5.5): 2.89
ACD/KOC (pH 5.5): 33.18
ACD/LogD (pH 7.4): -0.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 108 Å2
Polarizability: 42.9±0.5 10-24cm3
Surface Tension: 51.5±5.0 dyne/cm
Molar Volume: 333.0±5.0 cm3

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