Found 1 result

Search term: C29H38O8 (Found by synonym)

ChemSpider 2D Image | (4aR,4bS,5S,6aS,6bS,9aR,10aS,10bS)-6b-(Acetoxyacetyl)-4a,6a-dimethyl-2-oxo-8-propyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-5-yl acetate | C29H38O8

(4aR,4bS,5S,6aS,6bS,9aR,10aS,10bS)-6b-(Acetoxyacetyl)-4a,6a-dimethyl-2-oxo-8-propyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-5-yl acetate

  • Molecular FormulaC29H38O8
  • Average mass514.607 Da
  • Monoisotopic mass514.256653 Da
  • ChemSpider ID17468569
  • defined stereocentres - 8 of 9 defined stereocentres


More details:






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

(4aR,4bS,5S,6aS,6bS,9aR,10aS,10bS)-6b-(Acetoxyacetyl)-4a,6a-dimethyl-2-oxo-8-propyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-5-yl acetate [ACD/IUPAC Name]
(4aR,4bS,5S,6aS,6bS,9aR,10aS,10bS)-6b-(Acetoxyacetyl)-4a,6a-dimethyl-2-oxo-8-propyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-5-yl-acetat [German] [ACD/IUPAC Name]
2H-Naphth[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one, 5-(acetyloxy)-6b-[2-(acetyloxy)acetyl]-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-4a,6a-dimethyl-8-propyl-, (4aR,4bS,5S,6aS,6bS,9aR,10aS,10bS)- [ACD/Index Name]
Acétate de (4aR,4bS,5S,6aS,6bS,9aR,10aS,10bS)-6b-(2-acétoxyacétyl)-4a,6a-diméthyl-2-oxo-8-propyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodécahydro-2H-naphto[2',1':4,5]indéno[1,2-d][1,3]dioxol-5-yle [French] [ACD/IUPAC Name]
139419-16-2 [RN]
C29H38O8

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 616.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.4±3.0 kJ/mol
Flash Point: 259.7±31.5 °C
Index of Refraction: 1.559
Molar Refractivity: 133.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.89
ACD/LogD (pH 5.5): 4.45
ACD/BCF (pH 5.5): 1406.92
ACD/KOC (pH 5.5): 6239.22
ACD/LogD (pH 7.4): 4.45
ACD/BCF (pH 7.4): 1406.92
ACD/KOC (pH 7.4): 6239.22
Polar Surface Area: 105 Å2
Polarizability: 52.7±0.5 10-24cm3
Surface Tension: 49.9±5.0 dyne/cm
Molar Volume: 411.9±5.0 cm3

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