Found 132 results

Search term: MF = 'C_{32}H_{39}NO_{5}'
ChemSpider 2D Image | (6aR,7S,9aS,11S,13aS)-5-(Benzyloxy)-6a,7,10,10-tetramethyl-3-oxo-2,3,6,6a,7,8,9,9a,10,11,12,13-dodecahydro-1H-benzo[8,8a]chromeno[2,3-e]isoindol-11-yl acetate | C32H39NO5

(6aR,7S,9aS,11S,13aS)-5-(Benzyloxy)-6a,7,10,10-tetramethyl-3-oxo-2,3,6,6a,7,8,9,9a,10,11,12,13-dodecahydro-1H-benzo[8,8a]chromeno[2,3-e]isoindol-11-yl acetate

  • Molecular FormulaC32H39NO5
  • Average mass517.656 Da
  • Monoisotopic mass517.282837 Da
  • ChemSpider ID431765

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(6aR,7S,9aS,11S,13aS)-5-(Benzyloxy)-6a,7,10,10-tetramethyl-3-oxo-2,3,6,6a,7,8,9,9a,10,11,12,13-dodecahydro-1H-benzo[8,8a]chromeno[2,3-e]isoindol-11-yl acetate [ACD/IUPAC Name]
(6aR,7S,9aS,11S,13aS)-5-(Benzyloxy)-6a,7,10,10-tetramethyl-3-oxo-2,3,6,6a,7,8,9,9a,10,11,12,13-dodecahydro-1H-benzo[8,8a]chromeno[2,3-e]isoindol-11-yl-acetat [German] [ACD/IUPAC Name]
3H-Naphtho[1',8a':5,6]pyrano[2,3-e]isoindol-3-one, 11-(acetyloxy)-1,2,6,6a,7,8,9,9a,10,11,12,13-dodecahydro-6a,7,10,10-tetramethyl-5-(phenylmethoxy)-, (6aR,7S,9aS,11S,13aS)- [ACD/Index Name]
Acétate de (6aR,7S,9aS,11S,13aS)-5-(benzyloxy)-6a,7,10,10-tétraméthyl-3-oxo-2,3,6,6a,7,8,9,9a,10,11,12,13-dodécahydro-1H-benzo[8,8a]chroméno[2,3-e]isoindol-11-yle [French] [ACD/IUPAC Name]

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

AIDS122737 [DBID]
AIDS-122737 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 697.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.1±3.0 kJ/mol
Flash Point: 375.6±31.5 °C
Index of Refraction: 1.606
Molar Refractivity: 144.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 5.99
ACD/LogD (pH 5.5): 6.32
ACD/BCF (pH 5.5): 37431.97
ACD/KOC (pH 5.5): 65329.70
ACD/LogD (pH 7.4): 6.32
ACD/BCF (pH 7.4): 37431.97
ACD/KOC (pH 7.4): 65329.70
Polar Surface Area: 74 Å2
Polarizability: 57.5±0.5 10-24cm3
Surface Tension: 53.4±5.0 dyne/cm
Molar Volume: 420.3±5.0 cm3

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