ChemSpider 2D Image | Chisomicine C | C32H40O10

Chisomicine C

  • Molecular FormulaC32H40O10
  • Average mass584.654 Da
  • Monoisotopic mass584.262146 Da
  • ChemSpider ID26398562

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 10 defined stereocentres

More details:

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

(1R,2S,5S,6S,10R,14R,15S,18S,19S)-6-(3-Furyl)-10,18-dihydroxy-19-(2-methoxy-2-oxoethyl)-1,5,15-trimethyl-8-oxo-7,17-dioxapentacyclo[13.3.1.02,11.05,10.013,18]nonadec-11-en-14-yl (2E)-2-methyl-2-
 butenoate [ACD/IUPAC Name]
(1R,2S,5S,6S,10R,14R,15S,18S,19S)-6-(3-Furyl)-10,18-dihydroxy-19-(2-methoxy-2-oxoethyl)-1,5,15-trimethyl-8-oxo-7,17-dioxapentacyclo[13.3.1.02,11.05,10.013,18]nonadec-11-en-14-yl-(2E)-2-methyl-2-
 butenoat [German] [ACD/IUPAC Name]
(2E)-2-Méthyl-2-buténoate de (1R,2S,5S,6S,10R,14R,15S,18S,19S)-6-(3-furyl)-10,18-dihydroxy-19-(2-méthoxy-2-oxoéthyl)-1,5,15-triméthyl-8-oxo-7,17-dioxapentacyclo[13.3.1.02,11.05,10.013,18]nonadéc -11-én-14-yle [French] [ACD/IUPAC Name]
3,12-Methano-2H,6H-naphtho[2,1-b:6,5-c']dipyran-4-acetic acid, 7-(3-furanyl)-3,4,4a,4b,5,6a,7,9,10,10a,12,12a-dodecahydro-10a,12a-dihydroxy-3,4a,6a-trimethyl-13-[[(2E)-2-methyl-1-oxo-2-buten-1-yl]oxy] -9-oxo-, methyl ester, (3S,4S,4aR,4bS,6aS,7S,10aR,12aS,13R)- [ACD/Index Name]
Chisomicine C
(1R,2S,5S,6R,10R,14R,15S,18S,19S)-6-(3-Furyl)-10,18-dihydroxy-19-(2-methoxy-2-oxoethyl)-1,5,15-trimethyl-8-oxo-7,17-dioxapentacyclo[13.3.1.0(2,11).0(5,10).0(13,18)]nonadec-11-en-14-yl (2E)-2-methyl-2- butenoate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 704.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 108.2±3.0 kJ/mol
Flash Point: 379.9±32.9 °C
Index of Refraction: 1.599
Molar Refractivity: 148.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 3.29
ACD/LogD (pH 5.5): 3.73
ACD/BCF (pH 5.5): 405.05
ACD/KOC (pH 5.5): 2558.91
ACD/LogD (pH 7.4): 3.73
ACD/BCF (pH 7.4): 405.00
ACD/KOC (pH 7.4): 2558.62
Polar Surface Area: 142 Å2
Polarizability: 58.8±0.5 10-24cm3
Surface Tension: 58.9±5.0 dyne/cm
Molar Volume: 434.3±5.0 cm3

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