ChemSpider 2D Image | (3R,4aS,6aR,9aS,11S,13aS,13bR,15aR,15bS)-4,4,6a,10,10,13a,15b-Heptamethyl-2,3,4,4a,5,6,6a,7,9,9a,10,11,12,13,13a,13b,14,15,15a,15b-icosahydro-1H-naphtho[2',1':4,5]cyclohepta[1,2-a]naphthalene-3,11-dio l | C30H50O2

(3R,4aS,6aR,9aS,11S,13aS,13bR,15aR,15bS)-4,4,6a,10,10,13a,15b-Heptamethyl-2,3,4,4a,5,6,6a,7,9,9a,10,11,12,13,13a,13b,14,15,15a,15b-icosahydro-1H-naphtho[2',1':4,5]cyclohepta[1,2-a]naphthalene-3,11-dio l

  • Molecular FormulaC30H50O2
  • Average mass442.717 Da
  • Monoisotopic mass442.381073 Da
  • ChemSpider ID82964241

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3R,4aS,6aR,9aS,11S,13aS,13bR,15aR,15bS)-4,4,6a,10,10,13a,15b-Heptamethyl-2,3,4,4a,5,6,6a,7,9,9a,10,11,12,13,13a,13b,14,15,15a,15b-icosahydro-1H-naphtho[2',1':4,5]cyclohepta[1,2-a]naphthalene-3,11-dio l [ACD/IUPAC Name]
(3R,4aS,6aR,9aS,11S,13aS,13bR,15aR,15bS)-4,4,6a,10,10,13a,15b-Heptamethyl-2,3,4,4a,5,6,6a,7,9,9a,10,11,12,13,13a,13b,14,15,15a,15b-icosahydro-1H-naphtho[2',1':4,5]cyclohepta[1,2-a]naphthalin-3,11-diol [German] [ACD/IUPAC Name]
(3R,4aS,6aR,9aS,11S,13aS,13bR,15aR,15bS)-4,4,6a,10,10,13a,15b-Heptaméthyl-2,3,4,4a,5,6,6a,7,9,9a,10,11,12,13,13a,13b,14,15,15a,15b-icosahydro-1H-naphto[2',1':4,5]cyclohepta[1,2-a]naphtalène-3,11-diol [French] [ACD/IUPAC Name]
1H-Cyclohepta[1,2-a:5,4-a']dinaphthalene-3,11-diol, 2,3,4,4a,5,6,6a,7,9,9a,10,11,12,13,13a,13b,14,15,15a,15b-eicosahydro-4,4,6a,10,10,13a,15b-heptamethyl-, (3R,4aS,6aR,9aS,11S,13aS,13bR,15aR,15bS)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 530.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 92.7±6.0 kJ/mol
Flash Point: 215.3±24.7 °C
Index of Refraction: 1.550
Molar Refractivity: 133.4±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 9.10
ACD/LogD (pH 5.5): 8.52
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1021205.88
ACD/LogD (pH 7.4): 8.52
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1021205.88
Polar Surface Area: 40 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 42.8±5.0 dyne/cm
Molar Volume: 418.9±5.0 cm3

Click to predict properties on the Chemicalize site


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