Found 60 results

Search term: MF = 'C_{32}H_{42}O_{10}'
ChemSpider 2D Image | (1S,2R,5S,6S,8R,10R,11S,12R,14R,15R,16S,19S,21R)-21-Acetoxy-6-(3-furyl)-12,19-dihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.0~1,14~.0~2,11~.0~5,10~.0~8,10~]henicos-16-yl 2-methylpropano ate | C32H42O10

(1S,2R,5S,6S,8R,10R,11S,12R,14R,15R,16S,19S,21R)-21-Acetoxy-6-(3-furyl)-12,19-dihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.01,14.02,11.05,10.08,10]henicos-16-yl 2-methylpropano ate

  • Molecular FormulaC32H42O10
  • Average mass586.670 Da
  • Monoisotopic mass586.277771 Da
  • ChemSpider ID8523788

  • defined stereocentres - 13 of 13 defined stereocentres

More details:

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

(1S,2R,5S,6S,8R,10R,11S,12R,14R,15R,16S,19S,21R)-21-Acetoxy-6-(3-furyl)-12,19-dihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.01,14.02,11.05,10.08,10]henicos-16-yl 2-methylpropano 
ate [ACD/IUPAC Name]
(1S,2R,5S,6S,8R,10R,11S,12R,14R,15R,16S,19S,21R)-21-Acetoxy-6-(3-furyl)-12,19-dihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.01,14.02,11.05,10.08,10]henicos-16-yl-2-methylpropano 
at [German] [ACD/IUPAC Name]
2-Méthylpropanoate de (1S,2R,5S,6S,8R,10R,11S,12R,14R,15R,16S,19S,21R)-21-acétoxy-6-(3-furyl)-12,19-dihydroxy-5,11,15-triméthyl-3-oxo-9,17-dioxahexacyclo[13.3.3.01,14.02,11.05,10.08,10]hénicos -16-yle [French] [ACD/IUPAC Name]
Propanoic acid, 2-methyl-, (3S,4R,4aR,6R,6aS,6bR,7aR,9S,9aS,11aR,11bS,12S,14R)-14-(acetyloxy)-9-(3-furanyl)dodecahydro-6,12-dihydroxy-4,6a,9a-trimethyl-11-oxo-3H-4,11b-propano-1H-oxireno[1',5']cyclope nta[1',2':5,6]naphtho[1,2-c]pyran-3-yl ester [ACD/Index 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: 696.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.1±3.0 kJ/mol
Flash Point: 374.8±31.5 °C
Index of Refraction: 1.596
Molar Refractivity: 146.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 1.61
ACD/LogD (pH 5.5): 1.93
ACD/BCF (pH 5.5): 17.33
ACD/KOC (pH 5.5): 268.09
ACD/LogD (pH 7.4): 1.93
ACD/BCF (pH 7.4): 17.33
ACD/KOC (pH 7.4): 268.09
Polar Surface Area: 145 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 59.4±5.0 dyne/cm
Molar Volume: 431.6±5.0 cm3

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