ChemSpider 2D Image | (1S,9S,10S,13S)-6-{[(1R,2R,4aS,6R,8aR)-2,6-Dimethyl-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalenyl]carbonyl}-1,10,13-trihydroxy-8-oxa-4-azatricyclo[7.3.1.0~2,7~]trideca-2,6-dien-5-one | C24H31NO6

(1S,9S,10S,13S)-6-{[(1R,2R,4aS,6R,8aR)-2,6-Dimethyl-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalenyl]carbonyl}-1,10,13-trihydroxy-8-oxa-4-azatricyclo[7.3.1.02,7]trideca-2,6-dien-5-one

  • Molecular FormulaC24H31NO6
  • Average mass429.506 Da
  • Monoisotopic mass429.215149 Da
  • ChemSpider ID35516768

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(1S,9S,10S,13S)-6-{[(1R,2R,4aS,6R,8aR)-2,6-Diméthyl-1,2,4a,5,6,7,8,8a-octahydro-1-naphtalényl]carbonyl}-1,10,13-trihydroxy-8-oxa-4-azatricyclo[7.3.1.02,7]tridéca-2,6-dién-5-one [French] [ACD/IUPAC Name]
(1S,9S,10S,13S)-6-{[(1R,2R,4aS,6R,8aR)-2,6-Dimethyl-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalenyl]carbonyl}-1,10,13-trihydroxy-8-oxa-4-azatricyclo[7.3.1.02,7]trideca-2,6-dien-5-one [ACD/IUPAC Name]
(1S,9S,10S,13S)-6-{[(1R,2R,4aS,6R,8aR)-2,6-Dimethyl-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalinyl]carbonyl}-1,10,13-trihydroxy-8-oxa-4-azatricyclo[7.3.1.02,7]trideca-2,6-dien-5-on [German] [ACD/IUPAC Name]
2,6-Methano-9H-oxocino[3,2-c]pyridin-9-one, 2,3,4,5,6,8-hexahydro-3,6,11-trihydroxy-10-[[(1R,2R,4aS,6R,8aR)-1,2,4a,5,6,7,8,8a-octahydro-2,6-dimethyl-1-naphthalenyl]carbonyl]-, (2S,3S,6S,11S)- [ACD/Index Name]
Arthpyrone B

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

Density: 1.4±0.1 g/cm3
Boiling Point: 682.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 114.6±6.0 kJ/mol
Flash Point: 366.8±31.5 °C
Index of Refraction: 1.636
Molar Refractivity: 112.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.05
ACD/LogD (pH 5.5): 1.55
ACD/BCF (pH 5.5): 8.81
ACD/KOC (pH 5.5): 165.26
ACD/LogD (pH 7.4): 1.54
ACD/BCF (pH 7.4): 8.73
ACD/KOC (pH 7.4): 163.60
Polar Surface Area: 116 Å2
Polarizability: 44.4±0.5 10-24cm3
Surface Tension: 64.5±5.0 dyne/cm
Molar Volume: 312.5±5.0 cm3

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