ChemSpider 2D Image | chisomicine A | C32H38O8

chisomicine A

  • Molecular FormulaC32H38O8
  • Average mass550.639 Da
  • Monoisotopic mass550.256653 Da
  • ChemSpider ID26398182

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1R,2S,5R,6R,12Z,14R,15R,18S)-6-(3-Furyl)-18-(2-methoxy-2-oxoethyl)-1,5,15-trimethyl-8,17-dioxo-7-oxatetracyclo[13.2.1.02,11.05,10]octadeca-10,12-dien-14-yl (2E)-2-methyl-2-butenoate [ACD/IUPAC Name]
(1R,2S,5R,6R,12Z,14R,15R,18S)-6-(3-Furyl)-18-(2-methoxy-2-oxoethyl)-1,5,15-trimethyl-8,17-dioxo-7-oxatetracyclo[13.2.1.02,11.05,10]octadeca-10,12-dien-14-yl-(2E)-2-methyl-2-butenoat [German] [ACD/IUPAC Name]
(2E)-2-Méthyl-2-buténoate de (1R,2S,5R,6R,12Z,14R,15R,18S)-6-(3-furyl)-18-(2-méthoxy-2-oxoéthyl)-1,5,15-triméthyl-8,17-dioxo-7-oxatétracyclo[13.2.1.02,11.05,10]octadéca-10,12-dién-14-yle [French] [ACD/IUPAC Name]
7,10-Methanocyclonona[3,4]benzo[1,2-c]pyran-14-acetic acid, 4-(3-furanyl)-1,2,4,4a,5,6,6a,7,8,9,10,11-dodecahydro-4a,7,10-trimethyl-11-[[(2E)-2-methyl-1-oxo-2-buten-1-yl]oxy]-2,8-dioxo-, methyl ester, (4R,4aR,6aS,7R,10R,11R,12Z,14S)- [ACD/Index Name]
chisomicine A
(1R,2S,5R,6R,12Z,14R,15R,18S)-6-(3-Furyl)-18-(2-methoxy-2-oxoethyl)-1,5,15-trimethyl-8,17-dioxo-7-oxatetracyclo[13.2.1.0(5,10)]octadeca-10,12-dien-14-yl (2E)-2-methyl-2-butenoate
andhraxylocarpin D

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

Density: 1.2±0.1 g/cm3
Boiling Point: 665.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.9±3.0 kJ/mol
Flash Point: 356.5±31.5 °C
Index of Refraction: 1.573
Molar Refractivity: 145.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.55
ACD/LogD (pH 5.5): 4.96
ACD/BCF (pH 5.5): 3491.19
ACD/KOC (pH 5.5): 11957.88
ACD/LogD (pH 7.4): 4.96
ACD/BCF (pH 7.4): 3491.19
ACD/KOC (pH 7.4): 11957.88
Polar Surface Area: 109 Å2
Polarizability: 57.6±0.5 10-24cm3
Surface Tension: 50.6±5.0 dyne/cm
Molar Volume: 441.2±5.0 cm3

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