Found 51 results

Search term: MF = 'C_{31}H_{40}O_{10}'
ChemSpider 2D Image | (1R,2R,4S,5R,9R,10R,13R,14S,15S,16S,19R,20R)-9-(3-Furyl)-19-hydroxy-15-(2-methoxy-2-oxoethyl)-10,14,16-trimethyl-7-oxo-3,8,18-trioxahexacyclo[14.3.1.0~2,4~.0~4,13~.0~5,10~.0~14,19~]icos-20-yl 2-methyl propanoate | C31H40O10

(1R,2R,4S,5R,9R,10R,13R,14S,15S,16S,19R,20R)-9-(3-Furyl)-19-hydroxy-15-(2-methoxy-2-oxoethyl)-10,14,16-trimethyl-7-oxo-3,8,18-trioxahexacyclo[14.3.1.02,4.04,13.05,10.014,19]icos-20-yl 2-methyl propanoate

  • Molecular FormulaC31H40O10
  • Average mass572.643 Da
  • Monoisotopic mass572.262146 Da
  • ChemSpider ID29214382

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(1R,2R,4S,5R,9R,10R,13R,14S,15S,16S,19R,20R)-9-(3-Furyl)-19-hydroxy-15-(2-methoxy-2-oxoethyl)-10,14,16-trimethyl-7-oxo-3,8,18-trioxahexacyclo[14.3.1.02,4.04,13.05,10.014,19]icos-20-yl 2-methyl propanoate [ACD/IUPAC Name]
(1R,2R,4S,5R,9R,10R,13R,14S,15S,16S,19R,20R)-9-(3-Furyl)-19-hydroxy-15-(2-methoxy-2-oxoethyl)-10,14,16-trimethyl-7-oxo-3,8,18-trioxahexacyclo[14.3.1.02,4.04,13.05,10.014,19]icos-20-yl-2-methyl propanoat [German] [ACD/IUPAC Name]
2-Méthylpropanoate de (1R,2R,4S,5R,9R,10R,13R,14S,15S,16S,19R,20R)-9-(3-furyl)-19-hydroxy-15-(2-méthoxy-2-oxoéthyl)-10,14,16-triméthyl-7-oxo-3,8,18-trioxahexacyclo[14.3.1.02,4.04,13.05,10.014,1 9]icos-20-yle [French] [ACD/IUPAC Name]
7H-10b,11-Epoxy-3,12-methano-2H,6H-naphtho[2,1-b:6,5-c']dipyran-4-acetic acid, 7-(3-furanyl)dodecahydro-12a-hydroxy-3,4a,6a-trimethyl-13-(2-methyl-1-oxopropoxy)-9-oxo-, methyl ester, (3S,4S,4aS,4bR,6a R,7R,10aR,10bS,11R,12R,12aR,13R)- [ACD/Index Name]
godavarin F

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

Density: 1.4±0.1 g/cm3
Boiling Point: 674.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.0±3.0 kJ/mol
Flash Point: 361.6±31.5 °C
Index of Refraction: 1.587
Molar Refractivity: 142.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 2.58
ACD/LogD (pH 5.5): 2.93
ACD/BCF (pH 5.5): 98.82
ACD/KOC (pH 5.5): 932.20
ACD/LogD (pH 7.4): 2.93
ACD/BCF (pH 7.4): 98.81
ACD/KOC (pH 7.4): 932.14
Polar Surface Area: 134 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 56.8±5.0 dyne/cm
Molar Volume: 423.6±5.0 cm3

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