ChemSpider 2D Image | puupehenone | C21H28O3

puupehenone

  • Molecular FormulaC21H28O3
  • Average mass328.445 Da
  • Monoisotopic mass328.203857 Da
  • ChemSpider ID24603493

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(4aR,6aR,12aS,12bR)-10-Hydroxy-4,4,6a,12b-tetramethyl-1,2,3,4,4a,5,6,6a,12a,12b-decahydro-9H-benzo[a]xanthen-9-on [German] [ACD/IUPAC Name]
(4aR,6aR,12aS,12bR)-10-Hydroxy-4,4,6a,12b-tetramethyl-1,2,3,4,4a,5,6,6a,12a,12b-decahydro-9H-benzo[a]xanthen-9-one [ACD/IUPAC Name]
(4aR,6aR,12aS,12bR)-10-Hydroxy-4,4,6a,12b-tétraméthyl-1,2,3,4,4a,5,6,6a,12a,12b-décahydro-9H-benzo[a]xanthén-9-one [French] [ACD/IUPAC Name]
73573-17-8 [RN]
9H-Benzo[a]xanthen-9-one, 1,2,3,4,4a,5,6,6a,12a,12b-decahydro-10-hydroxy-4,4,6a,12b-tetramethyl-, (4aR,6aR,12aS,12bR)- [ACD/Index Name]
puupehenone
38030-58-9 [RN]
Puupehenone from Verongida family, Hyrtios genus

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

Density: 1.2±0.1 g/cm3
Boiling Point: 486.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 86.6±6.0 kJ/mol
Flash Point: 169.1±22.2 °C
Index of Refraction: 1.580
Molar Refractivity: 93.5±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 5.54
ACD/LogD (pH 5.5): 5.05
ACD/BCF (pH 5.5): 4080.70
ACD/KOC (pH 5.5): 13363.17
ACD/LogD (pH 7.4): 4.99
ACD/BCF (pH 7.4): 3526.53
ACD/KOC (pH 7.4): 11548.43
Polar Surface Area: 47 Å2
Polarizability: 37.1±0.5 10-24cm3
Surface Tension: 46.1±5.0 dyne/cm
Molar Volume: 281.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement