ChemSpider 2D Image | (3bR,4aS,5aS,6R,6aR,7aS,7bR,8aS,8bS)-3-Benzoyl-6-hydroxy-6a-isopropyl-8b-methyl-3b,4,4a,6,6a,7a,7b,8b,9,10-decahydrotrisoxireno[6,7:8a,9:4b,5]phenanthro[1,2-c]furan-1-yl benzoate | C34H32O8

(3bR,4aS,5aS,6R,6aR,7aS,7bR,8aS,8bS)-3-Benzoyl-6-hydroxy-6a-isopropyl-8b-methyl-3b,4,4a,6,6a,7a,7b,8b,9,10-decahydrotrisoxireno[6,7:8a,9:4b,5]phenanthro[1,2-c]furan-1-yl benzoate

  • Molecular FormulaC34H32O8
  • Average mass568.613 Da
  • Monoisotopic mass568.209717 Da
  • ChemSpider ID9585395

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3bR,4aS,5aS,6R,6aR,7aS,7bR,8aS,8bS)-3-Benzoyl-6-hydroxy-6a-isopropyl-8b-methyl-3b,4,4a,6,6a,7a,7b,8b,9,10-decahydrotrisoxireno[6,7:8a,9:4b,5]phenanthro[1,2-c]furan-1-yl benzoate [ACD/IUPAC Name]
(3bR,4aS,5aS,6R,6aR,7aS,7bR,8aS,8bS)-3-Benzoyl-6-hydroxy-6a-isopropyl-8b-methyl-3b,4,4a,6,6a,7a,7b,8b,9,10-decahydrotrisoxireno[6,7:8a,9:4b,5]phenanthro[1,2-c]furan-1-yl-benzoat [German] [ACD/IUPAC Name]
Benzoate de (3bR,4aS,5aS,6R,6aR,7aS,7bR,8aS,8bS)-3-benzoyl-6-hydroxy-6a-isopropyl-8b-méthyl-3b,4,4a,6,6a,7a,7b,8b,9,10-décahydrotrisoxiréno[6,7:8a,9:4b,5]phénanthro[1,2-c]furan-1-yle [French] [ACD/IUPAC Name]
Methanone, [(3bR,4aS,5aS,6R,6aR,7aS,7bR,8aS,8bS)-1-(benzoyloxy)-3b,4,4a,6,6a,7a,7b,8b,9,10-decahydro-6-hydroxy-8b-methyl-6a-(1-methylethyl)trisoxireno[6,7:8a,9:4b,5]phenanthro[1,2-c]furan-3-yl]phenyl- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.686
Molar Refractivity: 148.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 6.18
ACD/LogD (pH 5.5): 4.29
ACD/BCF (pH 5.5): 1074.46
ACD/KOC (pH 5.5): 5144.30
ACD/LogD (pH 7.4): 4.29
ACD/BCF (pH 7.4): 1074.46
ACD/KOC (pH 7.4): 5144.30
Polar Surface Area: 114 Å2
Polarizability: 58.8±0.5 10-24cm3
Surface Tension: 70.0±5.0 dyne/cm
Molar Volume: 389.7±5.0 cm3

Click to predict properties on the Chemicalize site


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