Found 78 results

Search term: MF = 'C_{29}H_{34}O_{8}'
ChemSpider 2D Image | Pulcherrimin F | C29H34O8

Pulcherrimin F

  • Molecular FormulaC29H34O8
  • Average mass510.576 Da
  • Monoisotopic mass510.225372 Da
  • ChemSpider ID9550581

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(4S,4aS,5R,6R,6aS,7R,11aS,11bR)-6-Acetoxy-5-(benzoyloxy)-4a-hydroxy-4,7,11b-trimethyl-1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodecahydrophenanthro[3,2-b]furan-4-carbonsäure [German] [ACD/IUPAC Name]
(4S,4aS,5R,6R,6aS,7R,11aS,11bR)-6-Acetoxy-5-(benzoyloxy)-4a-hydroxy-4,7,11b-trimethyl-1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodecahydrophenanthro[3,2-b]furan-4-carboxylic acid [ACD/IUPAC Name]
Acide (4S,4aS,5R,6R,6aS,7R,11aS,11bR)-6-acétoxy-5-(benzoyloxy)-4a-hydroxy-4,7,11b-triméthyl-1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodécahydrophénanthro[3,2-b]furane-4-carboxylique [French] [ACD/IUPAC Name]
Phenanthro[3,2-b]furan-4-carboxylic acid, 6-(acetyloxy)-5-(benzoyloxy)-1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodecahydro-4a-hydroxy-4,7,11b-trimethyl-, (4S,4aS,5R,6R,6aS,7R,11aS,11bR)- [ACD/Index Name]
Pulcherrimin F

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

Density: 1.3±0.1 g/cm3
Boiling Point: 646.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.1±3.0 kJ/mol
Flash Point: 344.5±31.5 °C
Index of Refraction: 1.603
Molar Refractivity: 132.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 6.04
ACD/LogD (pH 5.5): 4.02
ACD/BCF (pH 5.5): 262.35
ACD/KOC (pH 5.5): 616.90
ACD/LogD (pH 7.4): 2.36
ACD/BCF (pH 7.4): 5.67
ACD/KOC (pH 7.4): 13.34
Polar Surface Area: 123 Å2
Polarizability: 52.6±0.5 10-24cm3
Surface Tension: 59.6±5.0 dyne/cm
Molar Volume: 386.0±5.0 cm3

Click to predict properties on the Chemicalize site


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