Found 30 results

Search term: MF = 'C_{28}H_{44}O_{9}'
ChemSpider 2D Image | 1-[(3R,4aR,6aS,7R,10R,10aS,10bR)-10-Acetoxy-7-(acetoxymethyl)-3,4a,7,10a-tetramethyldodecahydro-1H-benzo[f]chromen-3-yl]-1,2-ethanediyl diacetate | C28H44O9

1-[(3R,4aR,6aS,7R,10R,10aS,10bR)-10-Acetoxy-7-(acetoxymethyl)-3,4a,7,10a-tetramethyldodecahydro-1H-benzo[f]chromen-3-yl]-1,2-ethanediyl diacetate

  • Molecular FormulaC28H44O9
  • Average mass524.644 Da
  • Monoisotopic mass524.298523 Da
  • ChemSpider ID8943722

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

1-[(3R,4aR,6aS,7R,10R,10aS,10bR)-10-Acetoxy-7-(acetoxymethyl)-3,4a,7,10a-tetramethyldodecahydro-1H-benzo[f]chromen-3-yl]-1,2-ethandiyl-diacetat [German] [ACD/IUPAC Name]
1-[(3R,4aR,6aS,7R,10R,10aS,10bR)-10-Acetoxy-7-(acetoxymethyl)-3,4a,7,10a-tetramethyldodecahydro-1H-benzo[f]chromen-3-yl]-1,2-ethanediyl diacetate [ACD/IUPAC Name]
1H-Naphtho[2,1-b]pyran-3,7-dimethanol, 10-(acetyloxy)-α3-[(acetyloxy)methyl]dodecahydro-3,4a,7,10a-tetramethyl-, diacetate, (3R,4aR,6aS,7R,10R,10aS,10bR)- [ACD/Index Name]
Diacétate de 1-[(3R,4aR,6aS,7R,10R,10aS,10bR)-10-acétoxy-7-(acétoxyméthyl)-3,4a,7,10a-tétraméthyldodécahydro-1H-benzo[f]chromén-3-yl]-1,2-éthanediyle [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: 554.3±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.5±3.0 kJ/mol
Flash Point: 230.7±26.0 °C
Index of Refraction: 1.508
Molar Refractivity: 134.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 4.14
ACD/LogD (pH 5.5): 4.74
ACD/BCF (pH 5.5): 2358.76
ACD/KOC (pH 5.5): 9031.56
ACD/LogD (pH 7.4): 4.74
ACD/BCF (pH 7.4): 2358.76
ACD/KOC (pH 7.4): 9031.56
Polar Surface Area: 114 Å2
Polarizability: 53.4±0.5 10-24cm3
Surface Tension: 43.8±5.0 dyne/cm
Molar Volume: 452.0±5.0 cm3

Click to predict properties on the Chemicalize site


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