ChemSpider 2D Image | [(1R,4aR,5S,6R,8S,8aR)-8-Acetoxy-5-[(3E)-5-acetoxy-3-(acetoxymethyl)-3-penten-1-yl]-5,6-dimethyloctahydronaphthalene-1,8a(1H)-diyl]bis(methylene) diacetate | C30H46O10

[(1R,4aR,5S,6R,8S,8aR)-8-Acetoxy-5-[(3E)-5-acetoxy-3-(acetoxymethyl)-3-penten-1-yl]-5,6-dimethyloctahydronaphthalene-1,8a(1H)-diyl]bis(methylene) diacetate

  • Molecular FormulaC30H46O10
  • Average mass566.680 Da
  • Monoisotopic mass566.309082 Da
  • ChemSpider ID8944638

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

[(1R,4aR,5S,6R,8S,8aR)-8-Acetoxy-5-[(3E)-5-acetoxy-3-(acetoxymethyl)-3-penten-1-yl]-5,6-dimethyloctahydronaphthalene-1,8a(1H)-diyl]bis(methylene) diacetate [ACD/IUPAC Name]
[(1R,4aR,5S,6R,8S,8aR)-8-Acetoxy-5-[(3E)-5-acetoxy-3-(acetoxymethyl)-3-penten-1-yl]-5,6-dimethyloctahydronaphthalin-1,8a(1H)-diyl]dimethylen-diacetat [German] [ACD/IUPAC Name]
1,8a(1H)-Naphthalenedimethanol, 8-(acetyloxy)-5-[(3E)-5-(acetyloxy)-3-[(acetyloxy)methyl]-3-penten-1-yl]octahydro-5,6-dimethyl-, diacetate, (1R,4aR,5S,6R,8S,8aR)- [ACD/Index Name]
Diacétate de [(1R,4aR,5S,6R,8S,8aR)-8-acétoxy-5-[(3E)-5-acétoxy-3-(acétoxyméthyl)-3-pentén-1-yl]-5,6-diméthyloctahydronaphtalène-1,8a(1H)-diyl]diméthylène [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 597.3±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.0±3.0 kJ/mol
Flash Point: 246.3±26.0 °C
Index of Refraction: 1.504
Molar Refractivity: 145.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 5.47
ACD/LogD (pH 5.5): 5.36
ACD/BCF (pH 5.5): 6959.30
ACD/KOC (pH 5.5): 19592.96
ACD/LogD (pH 7.4): 5.36
ACD/BCF (pH 7.4): 6959.30
ACD/KOC (pH 7.4): 19592.96
Polar Surface Area: 132 Å2
Polarizability: 57.8±0.5 10-24cm3
Surface Tension: 44.2±5.0 dyne/cm
Molar Volume: 492.0±5.0 cm3

Click to predict properties on the Chemicalize site


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