ChemSpider 2D Image | (4aS,7S,7aR,13aS)-4,4,7,7a-Tetramethyl-1,2,3,4,4a,5,6,7,7a,8-decahydrobenzo[d]xanthen-10-yl acetate | C23H32O3

(4aS,7S,7aR,13aS)-4,4,7,7a-Tetramethyl-1,2,3,4,4a,5,6,7,7a,8-decahydrobenzo[d]xanthen-10-yl acetate

  • Molecular FormulaC23H32O3
  • Average mass356.498 Da
  • Monoisotopic mass356.235138 Da
  • ChemSpider ID23339822

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(4aS,7S,7aR,13aS)-4,4,7,7a-Tetramethyl-1,2,3,4,4a,5,6,7,7a,8-decahydrobenzo[d]xanthen-10-yl acetate [ACD/IUPAC Name]
(4aS,7S,7aR,13aS)-4,4,7,7a-Tetramethyl-1,2,3,4,4a,5,6,7,7a,8-decahydrobenzo[d]xanthen-10-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (4aS,7S,7aR,13aS)-4,4,7,7a-tétraméthyl-1,2,3,4,4a,5,6,7,7a,8-décahydrobenzo[d]xanthén-10-yle [French] [ACD/IUPAC Name]
Benzo[d]xanthen-10-ol, 1,2,3,4,4a,5,6,7,7a,8-decahydro-4,4,7,7a-tetramethyl-, acetate, (4aS,7S,7aR,13aS)- [ACD/Index Name]
aureol acetate
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL457078/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 456.3±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.6±3.0 kJ/mol
Flash Point: 195.7±20.3 °C
Index of Refraction: 1.552
Molar Refractivity: 102.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 7.30
ACD/LogD (pH 5.5): 6.96
ACD/BCF (pH 5.5): 115524.11
ACD/KOC (pH 5.5): 146365.64
ACD/LogD (pH 7.4): 6.96
ACD/BCF (pH 7.4): 115524.11
ACD/KOC (pH 7.4): 146365.64
Polar Surface Area: 36 Å2
Polarizability: 40.8±0.5 10-24cm3
Surface Tension: 42.6±5.0 dyne/cm
Molar Volume: 322.3±5.0 cm3

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