Found 1939 results

Search term: MF = 'C_{30}H_{33}NO_{6}'
ChemSpider 2D Image | (3S,11E)-14-[2-(1,2-Dimethyl-1H-indol-3-yl)-2-oxoethoxy]-16-hydroxy-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione | C30H33NO6

(3S,11E)-14-[2-(1,2-Dimethyl-1H-indol-3-yl)-2-oxoethoxy]-16-hydroxy-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione

  • Molecular FormulaC30H33NO6
  • Average mass503.586 Da
  • Monoisotopic mass503.230774 Da
  • ChemSpider ID17465958

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S,11E)-14-[2-(1,2-Dimethyl-1H-indol-3-yl)-2-oxoethoxy]-16-hydroxy-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecin-1,7(8H)-dion [German] [ACD/IUPAC Name]
(3S,11E)-14-[2-(1,2-Dimethyl-1H-indol-3-yl)-2-oxoethoxy]-16-hydroxy-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione [ACD/IUPAC Name]
(3S,11E)-14-[2-(1,2-Diméthyl-1H-indol-3-yl)-2-oxoéthoxy]-16-hydroxy-3-méthyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotétradécine-1,7(8H)-dione [French] [ACD/IUPAC Name]
1H-2-Benzoxacyclotetradecin-1,7(8H)-dione, 14-[2-(1,2-dimethyl-1H-indol-3-yl)-2-oxoethoxy]-3,4,5,6,9,10-hexahydro-16-hydroxy-3-methyl-, (3S,11E)- [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: 769.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.9±3.0 kJ/mol
Flash Point: 419.0±32.9 °C
Index of Refraction: 1.598
Molar Refractivity: 140.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 5.43
ACD/LogD (pH 5.5): 5.01
ACD/BCF (pH 5.5): 3773.60
ACD/KOC (pH 5.5): 12578.23
ACD/LogD (pH 7.4): 4.63
ACD/BCF (pH 7.4): 1575.69
ACD/KOC (pH 7.4): 5252.09
Polar Surface Area: 95 Å2
Polarizability: 55.6±0.5 10-24cm3
Surface Tension: 45.2±7.0 dyne/cm
Molar Volume: 411.1±7.0 cm3

Click to predict properties on the Chemicalize site


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