ChemSpider 2D Image | (1S,11R,13S,14S,15R)-14,15-Dimethoxy-20-methyl-5,7,21-trioxa-20-azahexacyclo[11.4.3.1~11,14~.0~1,13~.0~2,10~.0~4,8~]henicosa-2(10),3,8-trien-16-one | C20H23NO6

(1S,11R,13S,14S,15R)-14,15-Dimethoxy-20-methyl-5,7,21-trioxa-20-azahexacyclo[11.4.3.111,14.01,13.02,10.04,8]henicosa-2(10),3,8-trien-16-one

  • Molecular FormulaC20H23NO6
  • Average mass373.400 Da
  • Monoisotopic mass373.152527 Da
  • ChemSpider ID24715616

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1S,11R,13S,14S,15R)-14,15-Dimethoxy-20-methyl-5,7,21-trioxa-20-azahexacyclo[11.4.3.111,14.01,13.02,10.04,8]henicosa-2(10),3,8-trien-16-on [German] [ACD/IUPAC Name]
(1S,11R,13S,14S,15R)-14,15-Dimethoxy-20-methyl-5,7,21-trioxa-20-azahexacyclo[11.4.3.111,14.01,13.02,10.04,8]henicosa-2(10),3,8-trien-16-one [ACD/IUPAC Name]
(1S,11R,13S,14S,15R)-14,15-Diméthoxy-20-méthyl-5,7,21-trioxa-20-azahexacyclo[11.4.3.111,14.01,13.02,10.04,8]hénicosa-2(10),3,8-trién-16-one [French] [ACD/IUPAC Name]
4H,6H-3a,6-Methano-4,11b-propano-1H-[1,3]dioxolo[7,8][2]benzoxepino[4,5-b]pyrrol-13-one, 2,3-dihydro-4,14-dimethoxy-3-methyl-, (3aS,4S,6R,11bS,14R)- [ACD/Index Name]
1025023-04-4 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL512458/
PERIGLAUCINE A

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

Density: 1.4±0.1 g/cm3
Boiling Point: 509.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.0±3.0 kJ/mol
Flash Point: 261.9±30.1 °C
Index of Refraction: 1.643
Molar Refractivity: 94.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.71
ACD/LogD (pH 5.5): 1.29
ACD/BCF (pH 5.5): 2.93
ACD/KOC (pH 5.5): 34.84
ACD/LogD (pH 7.4): 2.39
ACD/BCF (pH 7.4): 37.05
ACD/KOC (pH 7.4): 441.01
Polar Surface Area: 66 Å2
Polarizability: 37.3±0.5 10-24cm3
Surface Tension: 61.9±5.0 dyne/cm
Molar Volume: 260.2±5.0 cm3

Click to predict properties on the Chemicalize site


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