ChemSpider 2D Image | 2-[(4aR,4bR,5S,6aS,6bS,9aS,10aR)-5-Hydroxy-4a,6a-dimethyl-2-oxo-8-propyl-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]dioxol-6b-yl]-2-oxoethyl acetate | C27H36O7

2-[(4aR,4bR,5S,6aS,6bS,9aS,10aR)-5-Hydroxy-4a,6a-dimethyl-2-oxo-8-propyl-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]dioxol-6b-yl]-2-oxoethyl acetate

  • Molecular FormulaC27H36O7
  • Average mass472.570 Da
  • Monoisotopic mass472.246094 Da
  • ChemSpider ID32821212

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

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

2-[(4aR,4bR,5S,6aS,6bS,9aS,10aR)-5-Hydroxy-4a,6a-dimethyl-2-oxo-8-propyl-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]dioxol-6b-yl]-2-oxoethyl acetate [ACD/IUPAC Name]
2-[(4aR,4bR,5S,6aS,6bS,9aS,10aR)-5-Hydroxy-4a,6a-dimethyl-2-oxo-8-propyl-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]dioxol-6b-yl]-2-oxoethyl-acetat [German] [ACD/IUPAC Name]
2H-Naphth[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one, 6b-[2-(acetyloxy)acetyl]-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-5-hydroxy-4a,6a-dimethyl-8-propyl-, (4aR,4bR,5S,6aS,6bS,9aS,10aR)- [ACD/Index Name]
51333-05-2 [RN]
Acétate de 2-[(4aR,4bR,5S,6aS,6bS,9aS,10aR)-5-hydroxy-4a,6a-diméthyl-2-oxo-8-propyl-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]dioxol-6b-yl]-2-oxoéthyle [French] [ACD/IUPAC Name]
23261-20-3 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 611.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 104.1±6.0 kJ/mol
Flash Point: 200.5±25.0 °C
Index of Refraction: 1.574
Molar Refractivity: 123.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.25
ACD/LogD (pH 5.5): 3.71
ACD/BCF (pH 5.5): 388.41
ACD/KOC (pH 5.5): 2483.23
ACD/LogD (pH 7.4): 3.71
ACD/BCF (pH 7.4): 388.41
ACD/KOC (pH 7.4): 2483.23
Polar Surface Area: 99 Å2
Polarizability: 48.9±0.5 10-24cm3
Surface Tension: 52.2±5.0 dyne/cm
Molar Volume: 374.2±5.0 cm3

Click to predict properties on the Chemicalize site


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