Found 18 results

Search term: MF = 'C_{34}H_{41}NO_{10}'
ChemSpider 2D Image | (2R,4S,5S,7R,14R)-7-Acetoxy-11-isopropenyl-5,9-dimethyl-8-oxo-2,4-bis(propionyloxy)-16-oxatetracyclo[7.5.2.0~1,10~.0~3,7~]hexadec-12-en-14-yl nicotinate | C34H41NO10

(2R,4S,5S,7R,14R)-7-Acetoxy-11-isopropenyl-5,9-dimethyl-8-oxo-2,4-bis(propionyloxy)-16-oxatetracyclo[7.5.2.01,10.03,7]hexadec-12-en-14-yl nicotinate

  • Molecular FormulaC34H41NO10
  • Average mass623.690 Da
  • Monoisotopic mass623.273071 Da
  • ChemSpider ID420201

  • defined stereocentres - 5 of 10 defined stereocentres

More details:

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

(2R,4S,5S,7R,14R)-7-Acetoxy-11-isopropenyl-5,9-dimethyl-8-oxo-2,4-bis(propionyloxy)-16-oxatetracyclo[7.5.2.01,10.03,7]hexadec-12-en-14-yl nicotinate [ACD/IUPAC Name]
(2R,4S,5S,7R,14R)-7-Acetoxy-11-isopropenyl-5,9-dimethyl-8-oxo-2,4-bis(propionyloxy)-16-oxatetracyclo[7.5.2.01,10.03,7]hexadec-12-en-14-yl-nicotinat [German] [ACD/IUPAC Name]
3-Pyridinecarboxylic acid, (2S,3S,4R,5R,10aR)-10a-(acetyloxy)-2,3,3a,4,5,8,8a,9,10,10a-decahydro-2,9-dimethyl-8-(1-methylethenyl)-10-oxo-3,4-bis(1-oxopropoxy)-1H-9,4a-(epoxymethano)benz[f]azulen-5-yl ester [ACD/Index Name]
Nicotinate de (2R,4S,5S,7R,14R)-7-acétoxy-11-isopropényl-5,9-diméthyl-8-oxo-2,4-bis(propionyloxy)-16-oxatétracyclo[7.5.2.01,10.03,7]hexadéc-12-én-14-yle [French] [ACD/IUPAC Name]
15-O-acetyl-3,5-O-dipropionoyl-7-O-nicotinoylmyrsinol

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

AIDS093310 [DBID]
AIDS-093310 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 682.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.1±3.0 kJ/mol
Flash Point: 366.4±31.5 °C
Index of Refraction: 1.568
Molar Refractivity: 159.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 5.83
ACD/LogD (pH 5.5): 5.01
ACD/BCF (pH 5.5): 3791.55
ACD/KOC (pH 5.5): 12673.02
ACD/LogD (pH 7.4): 5.01
ACD/BCF (pH 7.4): 3804.64
ACD/KOC (pH 7.4): 12716.78
Polar Surface Area: 144 Å2
Polarizability: 63.1±0.5 10-24cm3
Surface Tension: 53.8±5.0 dyne/cm
Molar Volume: 486.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement