Found 1 result

Search term: 78439020 (Found by CSID)
ChemSpider 2D Image | (1aS,1bS,5aR,5bR,8R,9aR,9bR)-8,9a-Dihydroxy-1b,5a,8-trimethyldodecahydro-3H-benzo[f]oxireno[h]chromen-3-one | C16H24O5

(1aS,1bS,5aR,5bR,8R,9aR,9bR)-8,9a-Dihydroxy-1b,5a,8-trimethyldodecahydro-3H-benzo[f]oxireno[h]chromen-3-one

  • Molecular FormulaC16H24O5
  • Average mass296.359 Da
  • Monoisotopic mass296.162384 Da
  • ChemSpider ID78439020

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1aS,1bS,5aR,5bR,8R,9aR,9bR)-8,9a-Dihydroxy-1b,5a,8-trimethyldodecahydro-3H-benzo[f]oxireno[h]chromen-3-on [German] [ACD/IUPAC Name]
(1aS,1bS,5aR,5bR,8R,9aR,9bR)-8,9a-Dihydroxy-1b,5a,8-trimethyldodecahydro-3H-benzo[f]oxireno[h]chromen-3-one [ACD/IUPAC Name]
(1aS,1bS,5aR,5bR,8R,9aR,9bR)-8,9a-Dihydroxy-1b,5a,8-triméthyldodécahydro-3H-benzo[f]oxiréno[h]chromén-3-one [French] [ACD/IUPAC Name]
3H-Oxireno[3,4]naphtho[2,1-b]pyran-3-one, dodecahydro-8,9a-dihydroxy-1b,5a,8-trimethyl-, (1aS,1bS,5aR,5bR,8R,9aR,9bR)- [ACD/Index Name]
Libertalide H

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

Density: 1.3±0.1 g/cm3
Boiling Point: 476.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 85.3±6.0 kJ/mol
Flash Point: 175.7±22.2 °C
Index of Refraction: 1.577
Molar Refractivity: 74.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.55
ACD/LogD (pH 5.5): 1.06
ACD/BCF (pH 5.5): 3.78
ACD/KOC (pH 5.5): 90.18
ACD/LogD (pH 7.4): 1.06
ACD/BCF (pH 7.4): 3.78
ACD/KOC (pH 7.4): 90.18
Polar Surface Area: 79 Å2
Polarizability: 29.5±0.5 10-24cm3
Surface Tension: 55.3±3.0 dyne/cm
Molar Volume: 224.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement