ChemSpider 2D Image | MFCD10570137 | C29H40O3

MFCD10570137

  • Molecular FormulaC29H40O3
  • Average mass436.626 Da
  • Monoisotopic mass436.297760 Da
  • ChemSpider ID22900206

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(5R,5aR,6aS,7S,8R,9aS,9bR,9cR)-7-(benzyloxy)-5-ethoxy-3,3,5a,8,9c-pentamethyl-3,5,5a,6,6a,7,8,9,9a,9c-decahydro-9bH-cyclopenta[a]as-indacen-9b-ol
(5R,5aR,6aS,7S,8R,9aS,9bR,9cR)-7-(Benzyloxy)-5-ethoxy-3,3,5a,8,9c-pentamethyl-3,5,5a,6,6a,7,8,9,9a,9c-decahydro-9bH-cyclopenta[a]-as-indacen-9b-ol [ACD/IUPAC Name]
9bH-Cyclopent[a]-as-indacen-9b-ol, 5-ethoxy-3,5,5a,6,6a,7,8,9,9a,9c-decahydro-3,3,5a,8,9c-pentamethyl-7-(phenylmethoxy)-, (5R,5aR,6aS,7S,8R,9aS,9bR,9cR)- [ACD/Index Name]
MFCD10570137

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

Density: 1.1±0.1 g/cm3
Boiling Point: 526.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.3±3.0 kJ/mol
Flash Point: 272.1±30.1 °C
Index of Refraction: 1.578
Molar Refractivity: 129.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.42
ACD/LogD (pH 5.5): 6.24
ACD/BCF (pH 5.5): 32345.49
ACD/KOC (pH 5.5): 58844.88
ACD/LogD (pH 7.4): 6.24
ACD/BCF (pH 7.4): 32345.49
ACD/KOC (pH 7.4): 58844.88
Polar Surface Area: 39 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 45.0±5.0 dyne/cm
Molar Volume: 390.4±5.0 cm3

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