ChemSpider 2D Image | (6bR,8aR,9S,11R,12aS,12bS,14aS)-3,9-Dihydroxy-4,6b,8a,11,12b,14a-hexamethyl-7,8,8a,11,12,12a,12b,13,14,14a-decahydro-2,10(6bH,9H)-picenedione | C28H36O4

(6bR,8aR,9S,11R,12aS,12bS,14aS)-3,9-Dihydroxy-4,6b,8a,11,12b,14a-hexamethyl-7,8,8a,11,12,12a,12b,13,14,14a-decahydro-2,10(6bH,9H)-picenedione

  • Molecular FormulaC28H36O4
  • Average mass436.583 Da
  • Monoisotopic mass436.261353 Da
  • ChemSpider ID88298609

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(6bR,8aR,9S,11R,12aS,12bS,14aS)-3,9-Dihydroxy-4,6b,8a,11,12b,14a-hexamethyl-7,8,8a,11,12,12a,12b,13,14,14a-decahydro-2,10(6bH,9H)-picendion [German] [ACD/IUPAC Name]
(6bR,8aR,9S,11R,12aS,12bS,14aS)-3,9-Dihydroxy-4,6b,8a,11,12b,14a-hexamethyl-7,8,8a,11,12,12a,12b,13,14,14a-decahydro-2,10(6bH,9H)-picenedione [ACD/IUPAC Name]
(6bR,8aR,9S,11R,12aS,12bS,14aS)-3,9-Dihydroxy-4,6b,8a,11,12b,14a-hexaméthyl-7,8,8a,11,12,12a,12b,13,14,14a-décahydro-2,10(6bH,9H)-picènedione [French] [ACD/IUPAC Name]
2,10(6bH,9H)-Picenedione, 7,8,8a,11,12,12a,12b,13,14,14a-decahydro-3,9-dihydroxy-4,6b,8a,11,12b,14a-hexamethyl-, (6bR,8aR,9S,11R,12aS,12bS,14aS)- [ACD/Index Name]
50656-68-3 [RN]
tingenin B

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

Density: 1.2±0.1 g/cm3
Boiling Point: 643.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 108.8±6.0 kJ/mol
Flash Point: 356.9±28.0 °C
Index of Refraction: 1.606
Molar Refractivity: 123.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.65
ACD/LogD (pH 5.5): 4.86
ACD/BCF (pH 5.5): 2909.53
ACD/KOC (pH 5.5): 10492.94
ACD/LogD (pH 7.4): 4.83
ACD/BCF (pH 7.4): 2733.15
ACD/KOC (pH 7.4): 9856.86
Polar Surface Area: 75 Å2
Polarizability: 48.9±0.5 10-24cm3
Surface Tension: 51.9±5.0 dyne/cm
Molar Volume: 357.5±5.0 cm3

Click to predict properties on the Chemicalize site


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