ChemSpider 2D Image | (3R,4aR,7aS,11S,13aR,15aS,15bR)-11-Methoxy-4,4,7a,10,10,13a,15b-heptamethyl-2,3,4,4a,5,7,7a,8,9,9a,10,11,12,13,13a,13b,14,15,15a,15b-icosahydro-1H-naphtho[2',1':4,5]cyclohepta[1,2-a]naphthalen-3-ol | C31H52O2

(3R,4aR,7aS,11S,13aR,15aS,15bR)-11-Methoxy-4,4,7a,10,10,13a,15b-heptamethyl-2,3,4,4a,5,7,7a,8,9,9a,10,11,12,13,13a,13b,14,15,15a,15b-icosahydro-1H-naphtho[2',1':4,5]cyclohepta[1,2-a]naphthalen-3-ol

  • Molecular FormulaC31H52O2
  • Average mass456.743 Da
  • Monoisotopic mass456.396729 Da
  • ChemSpider ID34552452

  • defined stereocentres - 7 of 9 defined stereocentres

More details:

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

(3R,4aR,7aS,11S,13aR,15aS,15bR)-11-Methoxy-4,4,7a,10,10,13a,15b-heptamethyl-2,3,4,4a,5,7,7a,8,9,9a,10,11,12,13,13a,13b,14,15,15a,15b-icosahydro-1H-naphtho[2',1':4,5]cyclohepta[1,2-a]naphthalen-3-ol [ACD/IUPAC Name]
(3R,4aR,7aS,11S,13aR,15aS,15bR)-11-Methoxy-4,4,7a,10,10,13a,15b-heptamethyl-2,3,4,4a,5,7,7a,8,9,9a,10,11,12,13,13a,13b,14,15,15a,15b-icosahydro-1H-naphtho[2',1':4,5]cyclohepta[1,2-a]naphthalin-3-ol [German] [ACD/IUPAC Name]
(3R,4aR,7aS,11S,13aR,15aS,15bR)-11-Méthoxy-4,4,7a,10,10,13a,15b-heptaméthyl-2,3,4,4a,5,7,7a,8,9,9a,10,11,12,13,13a,13b,14,15,15a,15b-icosahydro-1H-naphto[2',1':4,5]cyclohepta[1,2-a]naphtalén-3-ol [French] [ACD/IUPAC Name]
1H-Cyclohepta[1,2-a:5,4-a']dinaphthalen-3-ol, 2,3,4,4a,5,7,7a,8,9,9a,10,11,12,13,13a,13b,14,15,15a,15b-eicosahydro-11-methoxy-4,4,7a,10,10,13a,15b-heptamethyl-, (3R,4aR,7aS,11S,13aR,15aS,15bR)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 520.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 91.4±6.0 kJ/mol
Flash Point: 203.0±24.4 °C
Index of Refraction: 1.535
Molar Refractivity: 138.2±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 9.73
ACD/LogD (pH 5.5): 9.36
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2928204.25
ACD/LogD (pH 7.4): 9.36
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2928204.25
Polar Surface Area: 29 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 39.9±5.0 dyne/cm
Molar Volume: 443.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement