ChemSpider 2D Image | (5aS,6R,6aR,10aR,11R,11aS,12R)-6,6a,10a,12-Tetrahydroxy-3,4,5a,8,8,11-hexamethyl-6,6a,10a,11,11a,12-hexahydro-1H,5aH-benzo[g]pyrano[4,3-b]chromene-1,7,9(8H,10H)-trione | C22H28O9

(5aS,6R,6aR,10aR,11R,11aS,12R)-6,6a,10a,12-Tetrahydroxy-3,4,5a,8,8,11-hexamethyl-6,6a,10a,11,11a,12-hexahydro-1H,5aH-benzo[g]pyrano[4,3-b]chromene-1,7,9(8H,10H)-trione

  • Molecular FormulaC22H28O9
  • Average mass436.452 Da
  • Monoisotopic mass436.173340 Da
  • ChemSpider ID40256627

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(5aS,6R,6aR,10aR,11R,11aS,12R)-6,6a,10a,12-Tetrahydroxy-3,4,5a,8,8,11-hexamethyl-6,6a,10a,11,11a,12-hexahydro-1H,5aH-benzo[g]pyrano[4,3-b]chromen-1,7,9(8H,10H)-trion [German] [ACD/IUPAC Name]
(5aS,6R,6aR,10aR,11R,11aS,12R)-6,6a,10a,12-Tetrahydroxy-3,4,5a,8,8,11-hexamethyl-6,6a,10a,11,11a,12-hexahydro-1H,5aH-benzo[g]pyrano[4,3-b]chromene-1,7,9(8H,10H)-trione [ACD/IUPAC Name]
(5aS,6R,6aR,10aR,11R,11aS,12R)-6,6a,10a,12-Tétrahydroxy-3,4,5a,8,8,11-hexaméthyl-6,6a,10a,11,11a,12-hexahydro-1H,5aH-benzo[g]pyrano[4,3-b]chromène-1,7,9(8H,10H)-trione [French] [ACD/IUPAC Name]
1H,8H-Naphtho[2,3-b]pyrano[3,4-e]pyran-1,7,9(5aH,10H)-trione, 6,6a,10a,11,11a,12-hexahydro-6,6a,10a,12-tetrahydroxy-3,4,5a,8,8,11-hexamethyl-, (5aS,6R,6aR,10aR,11R,11aS,12R)- [ACD/Index Name]
Aspertetranone D

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

Density: 1.5±0.1 g/cm3
Boiling Point: 629.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 106.8±6.0 kJ/mol
Flash Point: 217.2±25.0 °C
Index of Refraction: 1.622
Molar Refractivity: 104.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.91
ACD/LogD (pH 5.5): 1.69
ACD/BCF (pH 5.5): 11.27
ACD/KOC (pH 5.5): 197.12
ACD/LogD (pH 7.4): 1.69
ACD/BCF (pH 7.4): 11.27
ACD/KOC (pH 7.4): 197.07
Polar Surface Area: 151 Å2
Polarizability: 41.5±0.5 10-24cm3
Surface Tension: 68.7±5.0 dyne/cm
Molar Volume: 297.0±5.0 cm3

Click to predict properties on the Chemicalize site


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