ChemSpider 2D Image | 8,14,20-Trihydroxy-4,16-diisopropyl-15-methoxy-7,11,19-trimethyl-3-oxahexacyclo[11.7.1.1~2,4~.0~2,11~.0~5,10~.0~17,21~]docosa-1(21),5,7,9,13,15,17,19-octaen-22-one | C31H34O6

8,14,20-Trihydroxy-4,16-diisopropyl-15-methoxy-7,11,19-trimethyl-3-oxahexacyclo[11.7.1.12,4.02,11.05,10.017,21]docosa-1(21),5,7,9,13,15,17,19-octaen-22-one

  • Molecular FormulaC31H34O6
  • Average mass502.598 Da
  • Monoisotopic mass502.235535 Da
  • ChemSpider ID84497004

More details:

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

5,6a-Methano-5H,13H-benzo[d]phenaleno[1,2-b]pyran-14-one, 13a-hydro-2,7,12-trihydroxy-11-methoxy-3,8,13a-trimethyl-5,10-bis(1-methylethyl)- [ACD/Index Name]
8,14,20-Trihydroxy-4,16-diisopropyl-15-methoxy-7,11,19-trimethyl-3-oxahexacyclo[11.7.1.12,4.02,11.05,10.017,21]docosa-1(21),5,7,9,13,15,17,19-octaen-22-on [German] [ACD/IUPAC Name]
8,14,20-Trihydroxy-4,16-diisopropyl-15-methoxy-7,11,19-trimethyl-3-oxahexacyclo[11.7.1.12,4.02,11.05,10.017,21]docosa-1(21),5,7,9,13,15,17,19-octaen-22-one [ACD/IUPAC Name]
8,14,20-Trihydroxy-4,16-diisopropyl-15-méthoxy-7,11,19-triméthyl-3-oxahexacyclo[11.7.1.12,4.02,11.05,10.017,21]docosa-1(21),5,7,9,13,15,17,19-octaén-22-one [French] [ACD/IUPAC Name]
8,14,20-Trihydroxy-15-methoxy-7,11,19-trimethyl-4,16-di(propan-2-yl)-3-oxahexacyclo[11.7.1.12,4.02,11.05,10.017,21]docosa-1(20),5(10),6,8,13,15,17(21),18-octaen-22-one
Compound NP-016611

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

Density: 1.4±0.1 g/cm3
Boiling Point: 685.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.2±3.0 kJ/mol
Flash Point: 224.6±25.0 °C
Index of Refraction: 1.684
Molar Refractivity: 140.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 7.37
ACD/LogD (pH 5.5): 7.07
ACD/BCF (pH 5.5): 138808.33
ACD/KOC (pH 5.5): 166902.98
ACD/LogD (pH 7.4): 7.05
ACD/BCF (pH 7.4): 134161.19
ACD/KOC (pH 7.4): 161315.27
Polar Surface Area: 96 Å2
Polarizability: 55.7±0.5 10-24cm3
Surface Tension: 67.5±5.0 dyne/cm
Molar Volume: 369.9±5.0 cm3

Click to predict properties on the Chemicalize site


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