ChemSpider 2D Image | (2aR,5aS,5bS,6aS,7aS,8R,10bR,11S,11aR,11bS)-8-(5-Hydroxy-2-oxo-2,5-dihydro-3-furanyl)-2a,5a,7a,10b-tetramethyl-5-oxo-2a,5,5a,6a,7,7a,8,9,10b,11,11a,11b-dodecahydro-2H-cyclopenta[7,8]oxireno[4b,5]phena nthro[10,1-bc]furan-11-yl benzoate | C33H34O8

(2aR,5aS,5bS,6aS,7aS,8R,10bR,11S,11aR,11bS)-8-(5-Hydroxy-2-oxo-2,5-dihydro-3-furanyl)-2a,5a,7a,10b-tetramethyl-5-oxo-2a,5,5a,6a,7,7a,8,9,10b,11,11a,11b-dodecahydro-2H-cyclopenta[7,8]oxireno[4b,5]phena nthro[10,1-bc]furan-11-yl benzoate

  • Molecular FormulaC33H34O8
  • Average mass558.618 Da
  • Monoisotopic mass558.225342 Da
  • ChemSpider ID8568424

  • defined stereocentres - 10 of 11 defined stereocentres

More details:

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

(2aR,5aS,5bS,6aS,7aS,8R,10bR,11S,11aR,11bS)-8-(5-Hydroxy-2-oxo-2,5-dihydro-3-furanyl)-2a,5a,7a,10b-tetramethyl-5-oxo-2a,5,5a,6a,7,7a,8,9,10b,11,11a,11b-dodecahydro-2H-cyclopenta[7,8]oxireno[4b,5]phena nthro[10,1-bc]furan-11-yl benzoate [ACD/IUPAC Name]
(2aR,5aS,5bS,6aS,7aS,8R,10bR,11S,11aR,11bS)-8-(5-Hydroxy-2-oxo-2,5-dihydro-3-furanyl)-2a,5a,7a,10b-tetramethyl-5-oxo-2a,5,5a,6a,7,7a,8,9,10b,11,11a,11b-dodecahydro-2H-cyclopenta[7,8]oxireno[4b,5]phena nthro[10,1-bc]furan-11-yl-benzoat [German] [ACD/IUPAC Name]
5H-Cyclopent[7,8]oxireno[4b,5]phenanthro[10,1-bc]furan-5-one, 11-(benzoyloxy)-8-(2,5-dihydro-5-hydroxy-2-oxo-3-furanyl)-2,2a,5a,6a,7,7a,8,9,10b,11,11a,11b-dodecahydro-2a,5a,7a,10b-tetramethyl-, (2aR,5 aS,5bS,6aS,7aS,8R,10bR,11S,11aR,11bS)- [ACD/Index Name]
Benzoate de (2aR,5aS,5bS,6aS,7aS,8R,10bR,11S,11aR,11bS)-8-(5-hydroxy-2-oxo-2,5-dihydro-3-furanyl)-2a,5a,7a,10b-tétraméthyl-5-oxo-2a,5,5a,6a,7,7a,8,9,10b,11,11a,11b-dodécahydro-2H-cyclopenta[7,8]oxirén o[4b,5]phénanthro[10,1-bc]furan-11-yle [French] [ACD/IUPAC Name]
TRICHIRUBINE B

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

Density: 1.4±0.1 g/cm3
Boiling Point: 751.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 115.0±3.0 kJ/mol
Flash Point: 245.6±26.4 °C
Index of Refraction: 1.659
Molar Refractivity: 145.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 3.08
ACD/LogD (pH 5.5): 2.70
ACD/BCF (pH 5.5): 66.50
ACD/KOC (pH 5.5): 702.07
ACD/LogD (pH 7.4): 2.70
ACD/BCF (pH 7.4): 66.31
ACD/KOC (pH 7.4): 700.04
Polar Surface Area: 112 Å2
Polarizability: 57.7±0.5 10-24cm3
Surface Tension: 64.2±5.0 dyne/cm
Molar Volume: 394.8±5.0 cm3

Click to predict properties on the Chemicalize site


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