ChemSpider 2D Image | Chisomicine B | C32H40O9

Chisomicine B

  • Molecular FormulaC32H40O9
  • Average mass568.655 Da
  • Monoisotopic mass568.267212 Da
  • ChemSpider ID26399081
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 11 of 12 defined stereocentres


More details:






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

(2E)-2-Méthyl-2-buténoate de (2R,4S,5R,9R,10R,13R,14R,15S,16R,18R,19R)-9-(3-furyl)-18-hydroxy-15-(2-méthoxy-2-oxoéthyl)-10,14,16-triméthyl-7-oxo-3,8-dioxahexacyclo[14.2.1.02,4.04,13.05,10.014,1 8]nonadéc-19-yle [French] [ACD/IUPAC Name]
(2R,4S,5R,9R,10R,13R,14R,15S,16R,18R,19R)-9-(3-Furyl)-18-hydroxy-15-(2-methoxy-2-oxoethyl)-10,14,16-trimethyl-7-oxo-3,8-dioxahexacyclo[14.2.1.02,4.04,13.05,10.014,18]nonadec-19-yl (2E)-2-methy l-2-butenoate [ACD/IUPAC Name]
(2R,4S,5R,9R,10R,13R,14R,15S,16R,18R,19R)-9-(3-Furyl)-18-hydroxy-15-(2-methoxy-2-oxoethyl)-10,14,16-trimethyl-7-oxo-3,8-dioxahexacyclo[14.2.1.02,4.04,13.05,10.014,18]nonadec-19-yl-(2E)-2-methy l-2-butenoat [German] [ACD/IUPAC Name]
6,8-Methano-1H-cyclopent[5,6]oxireno[8,8a]naphtho[2,1-c]pyran-9-acetic acid, 1-(3-furanyl)tetradecahydro-6a-hydroxy-8,9a,11a-trimethyl-12-[[(2E)-2-methyl-1-oxo-2-buten-1-yl]oxy]-3-oxo-, methyl ester, (1R,4aR,4bS,5aR,6aR,8R,9S,9aR,9bR,11aR,12R)- [ACD/Index Name]
Chisomicine B
(2R,4S,5R,9R,10R,13R,14R,15S,16R,18R,19R)-9-(3-Furyl)-18-hydroxy-15-(2-methoxy-2-oxoethyl)-10,14,16-trimethyl-7-oxo-3,8-dioxahexacyclo[14.2.1.0(2,4).0(4,13).0(5,10).0(14,18)]nonadec-19-yl (2E)-2-methy l-2-butenoate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 676.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.3±3.0 kJ/mol
Flash Point: 362.7±31.5 °C
Index of Refraction: 1.596
Molar Refractivity: 145.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.46
ACD/LogD (pH 5.5): 3.25
ACD/BCF (pH 5.5): 173.79
ACD/KOC (pH 5.5): 1396.45
ACD/LogD (pH 7.4): 3.25
ACD/BCF (pH 7.4): 173.79
ACD/KOC (pH 7.4): 1396.45
Polar Surface Area: 125 Å2
Polarizability: 57.5±0.5 10-24cm3
Surface Tension: 56.5±5.0 dyne/cm
Molar Volume: 426.3±5.0 cm3

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