ChemSpider 2D Image | (1S,3S,4aS,7S,8aS)-3-{(1S,2R,3R)-2-[2-(Methoxymethoxy)ethyl]-2-methyl-3-[(2S)-1-oxo-2-propanyl]cyclopentyl}-4a-methyl-4-oxodecahydronaphthalene-1,7-diyl diacetate | C28H44O8

(1S,3S,4aS,7S,8aS)-3-{(1S,2R,3R)-2-[2-(Methoxymethoxy)ethyl]-2-methyl-3-[(2S)-1-oxo-2-propanyl]cyclopentyl}-4a-methyl-4-oxodecahydronaphthalene-1,7-diyl diacetate

  • Molecular FormulaC28H44O8
  • Average mass508.644 Da
  • Monoisotopic mass508.303619 Da
  • ChemSpider ID9093474

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(1S,3S,4aS,7S,8aS)-3-{(1S,2R,3R)-2-[2-(Methoxymethoxy)ethyl]-2-methyl-3-[(2S)-1-oxo-2-propanyl]cyclopentyl}-4a-methyl-4-oxodecahydronaphthalene-1,7-diyl diacetate [ACD/IUPAC Name]
(1S,3S,4aS,7S,8aS)-3-{(1S,2R,3R)-2-[2-(Methoxymethoxy)ethyl]-2-methyl-3-[(2S)-1-oxo-2-propanyl]cyclopentyl}-4a-methyl-4-oxodecahydronaphthalin-1,7-diyl-diacetat [German] [ACD/IUPAC Name]
Cyclopentaneacetaldehyde, 3-[(2S,4S,4aS,6S,8aS)-4,6-bis(acetyloxy)decahydro-8a-methyl-1-oxo-2-naphthalenyl]-2-[2-(methoxymethoxy)ethyl]-α,2-dimethyl-, (αS,1R,2R,3S)- [ACD/Index Name]
Diacétate de (1S,3S,4aS,7S,8aS)-3-{(1S,2R,3R)-2-[2-(méthoxyméthoxy)éthyl]-2-méthyl-3-[(2S)-1-oxo-2-propanyl]cyclopentyl}-4a-méthyl-4-oxodécahydronaphtalène-1,7-diyle [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 565.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.9±3.0 kJ/mol
Flash Point: 236.2±30.2 °C
Index of Refraction: 1.507
Molar Refractivity: 133.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 2.99
ACD/LogD (pH 5.5): 3.37
ACD/BCF (pH 5.5): 212.87
ACD/KOC (pH 5.5): 1614.65
ACD/LogD (pH 7.4): 3.37
ACD/BCF (pH 7.4): 212.87
ACD/KOC (pH 7.4): 1614.65
Polar Surface Area: 105 Å2
Polarizability: 52.8±0.5 10-24cm3
Surface Tension: 43.3±5.0 dyne/cm
Molar Volume: 447.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement