ChemSpider 2D Image | 2-[(4aS,4bR,5S,6aR,6bS,9aR,10aR,10bR)-5-Hydroxy-4a,6a,8-trimethyl-2-oxo-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]oxazol-6b-yl]-2-oxoethyl acetate | C25H31NO6

2-[(4aS,4bR,5S,6aR,6bS,9aR,10aR,10bR)-5-Hydroxy-4a,6a,8-trimethyl-2-oxo-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]oxazol-6b-yl]-2-oxoethyl acetate

  • Molecular FormulaC25H31NO6
  • Average mass441.517 Da
  • Monoisotopic mass441.215149 Da
  • ChemSpider ID62629809

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

2-[(4aS,4bR,5S,6aR,6bS,9aR,10aR,10bR)-5-Hydroxy-4a,6a,8-trimethyl-2-oxo-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]oxazol-6b-yl]-2-oxoethyl acetate [ACD/IUPAC Name]
2-[(4aS,4bR,5S,6aR,6bS,9aR,10aR,10bR)-5-Hydroxy-4a,6a,8-trimethyl-2-oxo-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]oxazol-6b-yl]-2-oxoethyl-acetat [German] [ACD/IUPAC Name]
2H-Naphth[2',1':4,5]indeno[1,2-d]oxazol-2-one, 6b-[2-(acetyloxy)acetyl]-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-5-hydroxy-4a,6a,8-trimethyl-, (4aS,4bR,5S,6aR,6bS,9aR,10aR,10bR)- [ACD/Index Name]
Acétate de 2-[(4aS,4bR,5S,6aR,6bS,9aR,10aR,10bR)-5-hydroxy-4a,6a,8-triméthyl-2-oxo-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodécahydro-6bH-naphto[2',1':4,5]indéno[1,2-d][1,3]oxazol-6b-yl]-2-oxoéthyle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 595.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.8±6.0 kJ/mol
Flash Point: 313.9±30.1 °C
Index of Refraction: 1.661
Molar Refractivity: 115.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.02
ACD/LogD (pH 5.5): 2.42
ACD/BCF (pH 5.5): 40.28
ACD/KOC (pH 5.5): 486.86
ACD/LogD (pH 7.4): 2.43
ACD/BCF (pH 7.4): 41.29
ACD/KOC (pH 7.4): 499.11
Polar Surface Area: 102 Å2
Polarizability: 45.6±0.5 10-24cm3
Surface Tension: 53.1±7.0 dyne/cm
Molar Volume: 311.6±7.0 cm3

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