ChemSpider 2D Image | (6bS,8aS,11R,12aR,14aR)-3,11-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

(6bS,8aS,11R,12aR,14aR)-3,11-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 ID57641838
  • defined stereocentres - 5 of 6 defined stereocentres


More details:






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

(6bS,8aS,11R,12aR,14aR)-3,11-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]
(6bS,8aS,11R,12aR,14aR)-3,11-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]
(6bS,8aS,11R,12aR,14aR)-3,11-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-3,11-dihydroxy-4,6b,8a,11,12b,14a-hexamethyl-, (6bS,8aS,11R,12aR,14aR)- [ACD/Index Name]
154346-86-8 [RN]
20-hydroxy-20-epi-tingenone

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 639.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 108.1±6.0 kJ/mol
Flash Point: 354.4±28.0 °C
Index of Refraction: 1.608
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: 4.70
ACD/LogD (pH 5.5): 5.07
ACD/BCF (pH 5.5): 4204.87
ACD/KOC (pH 5.5): 13657.60
ACD/LogD (pH 7.4): 5.04
ACD/BCF (pH 7.4): 3951.10
ACD/KOC (pH 7.4): 12833.36
Polar Surface Area: 75 Å2
Polarizability: 48.9±0.5 10-24cm3
Surface Tension: 52.5±5.0 dyne/cm
Molar Volume: 356.6±5.0 cm3

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