ChemSpider 2D Image | (3beta)-11,29-Dioxo-29-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl]olean-12-en-3-yl acetate | C43H60N2O5

(3β)-11,29-Dioxo-29-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]olean-12-en-3-yl acetate

  • Molecular FormulaC43H60N2O5
  • Average mass684.947 Da
  • Monoisotopic mass684.450195 Da
  • ChemSpider ID9204013

  • defined stereocentres - 10 of 11 defined stereocentres

More details:

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

(3β)-11,29-Dioxo-29-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]olean-12-en-3-yl acetate [ACD/IUPAC Name]
(3β)-11,29-Dioxo-29-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]olean-12-en-3-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (3β)-11,29-dioxo-29-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridéca-2,4-dién-11-yl]oléan-12-én-3-yle [French] [ACD/IUPAC Name]
Olean-12-ene-11,29-dione, 3-(acetyloxy)-29-[(1S,5R)-1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-3(4H)-yl]-, (3β)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.597
Molar Refractivity: 194.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 7.63
ACD/LogD (pH 5.5): 7.49
ACD/BCF (pH 5.5): 289535.84
ACD/KOC (pH 5.5): 282527.53
ACD/LogD (pH 7.4): 7.49
ACD/BCF (pH 7.4): 289536.16
ACD/KOC (pH 7.4): 282527.84
Polar Surface Area: 84 Å2
Polarizability: 76.9±0.5 10-24cm3
Surface Tension: 52.5±5.0 dyne/cm
Molar Volume: 569.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement