ChemSpider 2D Image | (1R,12S,13R,14S,17R,21R,24S,25S,27R)-17-Ethyl-1,14-dihydroxy-12-{(1E)-1-[(1S,3R,4R)-4-hydroxy-3-methoxy-1-methylcyclohexyl]-1-propen-2-yl}-13,19,21,25,27-pentamethyl-11,28-dioxa-4-azatricyclo[22.3.1.0 ~4,9~]octacos-18-ene-2,3,10,16-tetrone | C43H69NO10

(1R,12S,13R,14S,17R,21R,24S,25S,27R)-17-Ethyl-1,14-dihydroxy-12-{(1E)-1-[(1S,3R,4R)-4-hydroxy-3-methoxy-1-methylcyclohexyl]-1-propen-2-yl}-13,19,21,25,27-pentamethyl-11,28-dioxa-4-azatricyclo[22.3.1.0 4,9]octacos-18-ene-2,3,10,16-tetrone

  • Molecular FormulaC43H69NO10
  • Average mass760.009 Da
  • Monoisotopic mass759.492126 Da
  • ChemSpider ID8388061

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 12 of 13 defined stereocentres

More details:

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

(1R,12S,13R,14S,17R,21R,24S,25S,27R)-17-Ethyl-1,14-dihydroxy-12-{(1E)-1-[(1S,3R,4R)-4-hydroxy-3-methoxy-1-methylcyclohexyl]-1-propen-2-yl}-13,19,21,25,27-pentamethyl-11,28-dioxa-4-azatricyclo[22.3.1.0 ;4,9]octacos-18-en-2,3,10,16-tetron [German] [ACD/IUPAC Name]
(1R,12S,13R,14S,17R,21R,24S,25S,27R)-17-Ethyl-1,14-dihydroxy-12-{(1E)-1-[(1S,3R,4R)-4-hydroxy-3-methoxy-1-methylcyclohexyl]-1-propen-2-yl}-13,19,21,25,27-pentamethyl-11,28-dioxa-4-azatricyclo[22.3.1.0 ;4,9]octacos-18-ene-2,3,10,16-tetrone [ACD/IUPAC Name]
(1R,12S,13R,14S,17R,21R,24S,25S,27R)-17-Éthyl-1,14-dihydroxy-12-{(1E)-1-[(1S,3R,4R)-4-hydroxy-3-méthoxy-1-méthylcyclohexyl]-1-propén-2-yl}-13,19,21,25,27-pentaméthyl-11,28-dioxa-4-azatricyclo[22.3.1.0 ;4,9]octacos-18-ène-2,3,10,16-tétrone [French] [ACD/IUPAC Name]
15,19-Epoxy-3H-pyrido[2,1-c][1,4]oxaazacyclotricosine-1,7,20,21(4H,23H)-tetrone, 8-ethyl-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-5,19-dihydroxy-3-[(E)-2-[(1S,3R,4R)-4-hydroxy-3-met hoxy-1-methylcyclohexyl]-1-methylethenyl]-4,10,12,16,18-pentamethyl-, (3S,4R,5S,8R,12R,15S,16S,18R,19R)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 845.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 139.7±6.0 kJ/mol
Flash Point: 465.1±37.1 °C
Index of Refraction: 1.548
Molar Refractivity: 206.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 4.61
ACD/LogD (pH 5.5): 4.64
ACD/BCF (pH 5.5): 1983.06
ACD/KOC (pH 5.5): 7976.81
ACD/LogD (pH 7.4): 4.64
ACD/BCF (pH 7.4): 1981.50
ACD/KOC (pH 7.4): 7970.51
Polar Surface Area: 160 Å2
Polarizability: 81.8±0.5 10-24cm3
Surface Tension: 50.6±5.0 dyne/cm
Molar Volume: 649.3±5.0 cm3

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