Found 60 results

Search term: MF = 'C_{32}H_{42}O_{10}'
ChemSpider 2D Image | (1R,3aR,3bR,4aS,5aR,6aR,7aS,9S,11R,12aR,13aS,13bS,14R,15aR)-3a,14-Dihydroxy-9,13a,15a-trimethyl-1-(2-oxo-2H-pyran-5-yl)icosahydro-7aH-cyclopenta[7,8]oxireno[8a,9]phenanthro[2,3-b]pyrano[3,2-e][1,4]dio xin-11-yl acetate | C32H42O10

(1R,3aR,3bR,4aS,5aR,6aR,7aS,9S,11R,12aR,13aS,13bS,14R,15aR)-3a,14-Dihydroxy-9,13a,15a-trimethyl-1-(2-oxo-2H-pyran-5-yl)icosahydro-7aH-cyclopenta[7,8]oxireno[8a,9]phenanthro[2,3-b]pyrano[3,2-e][1,4]dio xin-11-yl acetate

  • Molecular FormulaC32H42O10
  • Average mass586.670 Da
  • Monoisotopic mass586.277771 Da
  • ChemSpider ID8113960

  • defined stereocentres - 14 of 15 defined stereocentres

More details:

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

(1R,3aR,3bR,4aS,5aR,6aR,7aS,9S,11R,12aR,13aS,13bS,14R,15aR)-3a,14-Dihydroxy-9,13a,15a-trimethyl-1-(2-oxo-2H-pyran-5-yl)icosahydro-7aH-cyclopenta[7,8]oxireno[8a,9]phenanthro[2,3-b]pyrano[3,2-e][1,4]dio xin-11-yl acetate [ACD/IUPAC Name]
(1R,3aR,3bR,4aS,5aR,6aR,7aS,9S,11R,12aR,13aS,13bS,14R,15aR)-3a,14-Dihydroxy-9,13a,15a-trimethyl-1-(2-oxo-2H-pyran-5-yl)icosahydro-7aH-cyclopenta[7,8]oxireno[8a,9]phenanthro[2,3-b]pyrano[3,2-e][1,4]dio xin-11-yl-acetat [German] [ACD/IUPAC Name]
2H-Pyran-2-one, 5-[(1R,3aR,3bR,4aS,5aR,6aR,7aS,9S,11R,12aR,13aS,13bS,14R,15aR)-11-(acetyloxy)eicosahydro-3a,14-dihydroxy-9,13a,15a-trimethyl-9H-cyclopent[7,8]oxireno[8a,9]phenanthro[2,3-b]pyrano[3,2-e ][1,4]dioxin-1-yl]- [ACD/Index Name]
Acétate de (1R,3aR,3bR,4aS,5aR,6aR,7aS,9S,11R,12aR,13aS,13bS,14R,15aR)-3a,14-dihydroxy-9,13a,15a-triméthyl-1-(2-oxo-2H-pyran-5-yl)icosahydro-7aH-cyclopenta[7,8]oxiréno[8a,9]phénanthro[2,3-b]pyrano[3,2 -e][1,4]dioxin-11-yle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 738.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 123.0±6.0 kJ/mol
Flash Point: 237.3±26.4 °C
Index of Refraction: 1.618
Molar Refractivity: 147.0±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 2.09
ACD/LogD (pH 5.5): 2.23
ACD/BCF (pH 5.5): 29.44
ACD/KOC (pH 5.5): 391.84
ACD/LogD (pH 7.4): 2.23
ACD/BCF (pH 7.4): 29.44
ACD/KOC (pH 7.4): 391.84
Polar Surface Area: 133 Å2
Polarizability: 58.3±0.5 10-24cm3
Surface Tension: 61.7±5.0 dyne/cm
Molar Volume: 419.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement