ChemSpider 2D Image | (6aS,8S,13aR,15S)-15-Hydroxy-8-methyl-1,13-dioxo-4,6,10,11,13b,15-hexahydro-1H,3H,6aH,8H-pyrano[3,4-c]pyrano[3',4':3,4]pyrano[2,3-h]chromene-9-carbaldehyde | C20H20O8

(6aS,8S,13aR,15S)-15-Hydroxy-8-methyl-1,13-dioxo-4,6,10,11,13b,15-hexahydro-1H,3H,6aH,8H-pyrano[3,4-c]pyrano[3',4':3,4]pyrano[2,3-h]chromene-9-carbaldehyde

  • Molecular FormulaC20H20O8
  • Average mass388.368 Da
  • Monoisotopic mass388.115814 Da
  • ChemSpider ID28287012

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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(6aS,8S,13aR,15S)-15-Hydroxy-8-methyl-1,13-dioxo-4,6,10,11,13b,15-hexahydro-1H,3H,6aH,8H-pyrano[3,4-c]pyrano[3',4':3,4]pyrano[2,3-h]chromen-9-carbaldehyd [German] [ACD/IUPAC Name]
(6aS,8S,13aR,15S)-15-Hydroxy-8-methyl-1,13-dioxo-4,6,10,11,13b,15-hexahydro-1H,3H,6aH,8H-pyrano[3,4-c]pyrano[3',4':3,4]pyrano[2,3-h]chromene-9-carbaldehyde [ACD/IUPAC Name]
(6aS,8S,13aR,15S)-15-Hydroxy-8-méthyl-1,13-dioxo-4,6,10,11,13b,15-hexahydro-1H,3H,6aH,8H-pyrano[3,4-c]pyrano[3',4':3,4]pyrano[2,3-h]chromène-9-carbaldéhyde [French] [ACD/IUPAC Name]
1H,3H,6aH,8H,13H-Pyrano[3,4-c]pyrano[3',4':3,4]pyrano[2,3-h][1]benzopyran-9-carboxaldehyde, 4,6,10,11,13b,15-hexahydro-15-hydroxy-8-methyl-1,13-dioxo-, (6aS,8S,13aR,15S)- [ACD/Index Name]
swerilactone C

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

Density: 1.5±0.1 g/cm3
Boiling Point: 803.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.5 mmHg at 25°C
Enthalpy of Vaporization: 133.1±6.0 kJ/mol
Flash Point: 292.3±27.8 °C
Index of Refraction: 1.631
Molar Refractivity: 92.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.56
ACD/LogD (pH 5.5): 0.99
ACD/BCF (pH 5.5): 3.34
ACD/KOC (pH 5.5): 82.46
ACD/LogD (pH 7.4): 0.99
ACD/BCF (pH 7.4): 3.34
ACD/KOC (pH 7.4): 82.44
Polar Surface Area: 108 Å2
Polarizability: 36.5±0.5 10-24cm3
Surface Tension: 65.2±5.0 dyne/cm
Molar Volume: 258.2±5.0 cm3

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