Found 130 results

Search term: MF = 'C_{26}H_{38}O_{8}'
ChemSpider 2D Image | (4a'R,5'S,6'R,6a'S,7'R,10a'R,10b'R)-6'-Acetoxy-4a',6a',10b'-trimethyl-5-oxododecahydro-2'H-dispiro[furan-3,3'-benzo[f]chromene-7',2''-oxiran]-5'-yl 2-methylpropanoate | C26H38O8

(4a'R,5'S,6'R,6a'S,7'R,10a'R,10b'R)-6'-Acetoxy-4a',6a',10b'-trimethyl-5-oxododecahydro-2'H-dispiro[furan-3,3'-benzo[f]chromene-7',2''-oxiran]-5'-yl 2-methylpropanoate

  • Molecular FormulaC26H38O8
  • Average mass478.575 Da
  • Monoisotopic mass478.256653 Da
  • ChemSpider ID22913994

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(4a'R,5'S,6'R,6a'S,7'R,10a'R,10b'R)-6'-Acetoxy-4a',6a',10b'-trimethyl-5-oxododecahydro-2'H-dispiro[furan-3,3'-benzo[f]chromene-7',2''-oxiran]-5'-yl 2-methylpropanoate [ACD/IUPAC Name]
Propanoic acid, 2-methyl-, (4a'R,5'S,6'R,6a'S,7'R,10a'R,10b'R)-6'-(acetyloxy)dodecahydro-4'a,6'a,10'b-trimethyl-5-oxodispiro[furan-3(2H),3'-[3H]naphtho[2,1-b]pyran-7'(2'H),2''-oxiran]-5'-yl ester [ACD/Index Name]
(2R,4'aR,5'S,6'R,6'aS,10'aR,10'bR)-6'-(acetyloxy)-4'a,6'a,10'b-trimethyl-5''-oxo-decahydro-1'H-dispiro[oxirane-2,7'-naphtho[2,1-b]pyran-3',3''-oxolane]-5'-yl 2-methylpropanoate
Compound NP-012959

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

Density: 1.2±0.1 g/cm3
Boiling Point: 580.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.9±3.0 kJ/mol
Flash Point: 247.0±30.2 °C
Index of Refraction: 1.541
Molar Refractivity: 121.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.48
ACD/LogD (pH 5.5): 3.13
ACD/BCF (pH 5.5): 140.91
ACD/KOC (pH 5.5): 1201.76
ACD/LogD (pH 7.4): 3.13
ACD/BCF (pH 7.4): 140.91
ACD/KOC (pH 7.4): 1201.76
Polar Surface Area: 101 Å2
Polarizability: 48.1±0.5 10-24cm3
Surface Tension: 47.8±5.0 dyne/cm
Molar Volume: 385.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement