ChemSpider 2D Image | (8S,11S,14R,15E,17R,18R,20R,22S,23E,25E,27E,29S,31S,34R)-1,17-Dihydroxy-11-{(2R)-1-[(1S,3R,4R)-4-(2-hydroxyethoxy)-3-methoxycyclohexyl]-2-propanyl}-18,29-dimethoxy-14,16,20,22,28,34-hexamethyl-10,36-d
ioxa-3-azatricyclo[29.4.1.0~3,8~]hexatriaconta-15,23,25,27-tetraene-2,9,13,19,35-pentone | C53H83NO14

(8S,11S,14R,15E,17R,18R,20R,22S,23E,25E,27E,29S,31S,34R)-1,17-Dihydroxy-11-{(2R)-1-[(1S,3R,4R)-4-(2-hydroxyethoxy)-3-methoxycyclohexyl]-2-propanyl}-18,29-dimethoxy-14,16,20,22,28,34-hexamethyl-10,36-d ioxa-3-azatricyclo[29.4.1.03,8]hexatriaconta-15,23,25,27-tetraene-2,9,13,19,35-pentone

  • Molecular FormulaC53H83NO14
  • Average mass958.224 Da
  • Monoisotopic mass957.581360 Da
  • ChemSpider ID9896848
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 14 of 15 defined stereocentres


More details:






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

(8S,11S,14R,15E,17R,18R,20R,22S,23E,25E,27E,29S,31S,34R)-1,17-Dihydroxy-11-{(2R)-1-[(1S,3R,4R)-4-(2-hydroxyethoxy)-3-methoxycyclohexyl]-2-propanyl}-18,29-dimethoxy-14,16,20,22,28,34-hexamethyl-10,36-d ;ioxa-3-azatricyclo[29.4.1.03,8]hexatriaconta-15,23,25,27-tetraen-2,9,13,19,35-penton [German] [ACD/IUPAC Name]
(8S,11S,14R,15E,17R,18R,20R,22S,23E,25E,27E,29S,31S,34R)-1,17-Dihydroxy-11-{(2R)-1-[(1S,3R,4R)-4-(2-hydroxyethoxy)-3-methoxycyclohexyl]-2-propanyl}-18,29-dimethoxy-14,16,20,22,28,34-hexamethyl-10,36-d ;ioxa-3-azatricyclo[29.4.1.03,8]hexatriaconta-15,23,25,27-tetraene-2,9,13,19,35-pentone [ACD/IUPAC Name]
(8S,11S,14R,15E,17R,18R,20R,22S,23E,25E,27E,29S,31S,34R)-1,17-Dihydroxy-11-{(2R)-1-[(1S,3R,4R)-4-(2-hydroxyéthoxy)-3-méthoxycyclohexyl]-2-propanyl}-18,29-diméthoxy-14,16,20,22,28,34-hexaméthyl-10,36-d ;ioxa-3-azatricyclo[29.4.1.03,8]hexatriaconta-15,23,25,27-tétraène-2,9,13,19,35-pentone [French] [ACD/IUPAC Name]
23,28-Epoxy-3H-pyrido[2,1-c][1,4]oxaazacyclohentriacontine-1,5,11,27,29(4H,6H,12H,28H,31H)-pentone, 9,10,13,14,21,22,23,24,25,26,32,33,34,34a-tetradecahydro-9,28-dihydroxy-3-[(1R)-2-[(1S,3R,4R)-4-(2-h ydroxyethoxy)-3-methoxycyclohexyl]-1-methylethyl]-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-, (3S,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,34aS)- [ACD/Index Name]
908340-97-6 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 1023.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 169.3±6.0 kJ/mol
Flash Point: 572.5±34.3 °C
Index of Refraction: 1.548
Molar Refractivity: 257.7±0.4 cm3
#H bond acceptors: 15
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 4.79
ACD/LogD (pH 5.5): 4.87
ACD/BCF (pH 5.5): 2953.10
ACD/KOC (pH 5.5): 10607.30
ACD/LogD (pH 7.4): 4.86
ACD/BCF (pH 7.4): 2924.23
ACD/KOC (pH 7.4): 10503.60
Polar Surface Area: 205 Å2
Polarizability: 102.2±0.5 10-24cm3
Surface Tension: 51.4±5.0 dyne/cm
Molar Volume: 811.2±5.0 cm3

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