ChemSpider 2D Image | (7S,7aR,13aS)-9-Methoxy-4,4,7,7a-tetramethyl-1,2,3,4,4a,5,6,7,7a,8-decahydrobenzo[d]xanthen-12-ol | C22H32O3

(7S,7aR,13aS)-9-Methoxy-4,4,7,7a-tetramethyl-1,2,3,4,4a,5,6,7,7a,8-decahydrobenzo[d]xanthen-12-ol

  • Molecular FormulaC22H32O3
  • Average mass344.488 Da
  • Monoisotopic mass344.235138 Da
  • ChemSpider ID23227355
  • defined stereocentres - 3 of 4 defined stereocentres


More details:






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

(7S,7aR,13aS)-9-Methoxy-4,4,7,7a-tetramethyl-1,2,3,4,4a,5,6,7,7a,8-decahydrobenzo[d]xanthen-12-ol [ACD/IUPAC Name]
(7S,7aR,13aS)-9-Methoxy-4,4,7,7a-tetramethyl-1,2,3,4,4a,5,6,7,7a,8-decahydrobenzo[d]xanthen-12-ol [German] [ACD/IUPAC Name]
(7S,7aR,13aS)-9-Méthoxy-4,4,7,7a-tétraméthyl-1,2,3,4,4a,5,6,7,7a,8-décahydrobenzo[d]xanthén-12-ol [French] [ACD/IUPAC Name]
Benzo[d]xanthen-12-ol, 1,2,3,4,4a,5,6,7,7a,8-decahydro-9-methoxy-4,4,7,7a-tetramethyl-, (7S,7aR,13aS)- [ACD/Index Name]
13-methoxy-5,5,9,10-tetramethyl-18-oxatetracyclo[8.8.0.01,6.012,17]octadeca-12(17),13,15-trien-16-ol

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

Density: 1.1±0.1 g/cm3
Boiling Point: 469.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.0±3.0 kJ/mol
Flash Point: 238.0±28.7 °C
Index of Refraction: 1.565
Molar Refractivity: 99.7±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 6.72
ACD/LogD (pH 5.5): 6.50
ACD/BCF (pH 5.5): 51602.85
ACD/KOC (pH 5.5): 82207.47
ACD/LogD (pH 7.4): 6.50
ACD/BCF (pH 7.4): 51512.89
ACD/KOC (pH 7.4): 82064.17
Polar Surface Area: 39 Å2
Polarizability: 39.5±0.5 10-24cm3
Surface Tension: 45.1±5.0 dyne/cm
Molar Volume: 306.1±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement