ChemSpider 2D Image | (3bR,9bS)-6-Hydroxy-7-isopropyl-9b-methyl-3,3b,4,9b,10,11-hexahydrophenanthro[1,2-c]furan-1,5-dione | C20H22O4

(3bR,9bS)-6-Hydroxy-7-isopropyl-9b-methyl-3,3b,4,9b,10,11-hexahydrophenanthro[1,2-c]furan-1,5-dione

  • Molecular FormulaC20H22O4
  • Average mass326.386 Da
  • Monoisotopic mass326.151794 Da
  • ChemSpider ID29303248

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3bR,9bS)-6-Hydroxy-7-isopropyl-9b-methyl-3,3b,4,9b,10,11-hexahydrophenanthro[1,2-c]furan-1,5-dion [German] [ACD/IUPAC Name]
(3bR,9bS)-6-Hydroxy-7-isopropyl-9b-methyl-3,3b,4,9b,10,11-hexahydrophenanthro[1,2-c]furan-1,5-dione [ACD/IUPAC Name]
(3bR,9bS)-6-Hydroxy-7-isopropyl-9b-méthyl-3,3b,4,9b,10,11-hexahydrophénanthro[1,2-c]furane-1,5-dione [French] [ACD/IUPAC Name]
Phenanthro[1,2-c]furan-1,5-dione, 3,3b,4,9b,10,11-hexahydro-6-hydroxy-9b-methyl-7-(1-methylethyl)-, (3bR,9bS)- [ACD/Index Name]
(3bR,9bS)-6-hydroxy-7-isopropyl-9b-methyl-3b,4,10,11-tetrahydrophenanthro[2,1-c]furan-1,5(3H,9bH)-dione
(3bS,9bR)-6-hydroxy-9b-methyl-7-propan-2-yl-3b,4,10,11-tetrahydro-3H-naphtho[2,1-e][2]benzofuran-1,5-dione
79548-61-1 [RN]
CS-14310
MFCD18781881
Triptonolide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 555.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.8±3.0 kJ/mol
Flash Point: 201.6±23.6 °C
Index of Refraction: 1.614
Molar Refractivity: 88.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.16
ACD/LogD (pH 5.5): 4.12
ACD/BCF (pH 5.5): 792.30
ACD/KOC (pH 5.5): 4134.55
ACD/LogD (pH 7.4): 4.07
ACD/BCF (pH 7.4): 704.19
ACD/KOC (pH 7.4): 3674.78
Polar Surface Area: 64 Å2
Polarizability: 35.0±0.5 10-24cm3
Surface Tension: 55.0±5.0 dyne/cm
Molar Volume: 253.6±5.0 cm3

Click to predict properties on the Chemicalize site


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