ChemSpider 2D Image | 2-[(4aR,4bS,5S,6aS,6bS,9aR,10aS,10bS)-8-Cyclohexyl-5-hydroxy-4a,6a-dimethyl-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]dioxol-6b-yl]-2-oxoethyl 2-meth
ylpropanoate | C32H44O7

2-[(4aR,4bS,5S,6aS,6bS,9aR,10aS,10bS)-8-Cyclohexyl-5-hydroxy-4a,6a-dimethyl-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]dioxol-6b-yl]-2-oxoethyl 2-meth ylpropanoate

  • Molecular FormulaC32H44O7
  • Average mass540.688 Da
  • Monoisotopic mass540.308716 Da
  • ChemSpider ID392056
  • defined stereocentres - 8 of 9 defined stereocentres


More details:






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

2-[(4aR,4bS,5S,6aS,6bS,9aR,10aS,10bS)-8-Cyclohexyl-5-hydroxy-4a,6a-dimethyl-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]dioxol-6b-yl]-2-oxoethyl 2-meth ylpropanoate [ACD/IUPAC Name]
2-[(4aR,4bS,5S,6aS,6bS,9aR,10aS,10bS)-8-Cyclohexyl-5-hydroxy-4a,6a-dimethyl-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]dioxol-6b-yl]-2-oxoethyl-2-meth ylpropanoat [German] [ACD/IUPAC Name]
2-Méthylpropanoate de 2-[(4aR,4bS,5S,6aS,6bS,9aR,10aS,10bS)-8-cyclohexyl-5-hydroxy-4a,6a-diméthyl-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]dioxol-6b- yl]-2-oxoéthyle [French] [ACD/IUPAC Name]
Propanoic acid, 2-methyl-, 2-[(4aR,4bS,5S,6aS,6bS,9aR,10aS,10bS)-8-cyclohexyl-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-5-hydroxy-4a,6a-dimethyl-2-oxo-6bH-naphth[2',1':4,5]indeno[1,2-d][1,3]dioxo l-6b-yl]-2-oxoethyl ester [ACD/Index Name]
2-[(1S,2S,4R,8S,9S,11S,12S,13R)-6-cyclohexyl-11-hydroxy-9,13-dimethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethyl 2-methylpropanoate
Alvesco [Trade name]
Isobutyric acid 2-((4aR,4bS,5S,6aS,6bS,9aR,10aS,10bS)-8-cyclohexyl-5-hydroxy-4a,6a-dimethyl-2-oxo-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-7,9-dioxa-pentaleno[2,1-a]phenanthren-6b-yl)-2-oxo-ethyl ester
MFCD00866004 [MDL number]
Omnaris
Omniair
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

D01703 [DBID]
  • Miscellaneous
    • Safety:

      5 Axon Medchem 1426
      H303;H313;H317;H333;H334;H335;H373 Axon Medchem 1426
      no pictogram Axon Medchem 1426
      P101;P102;P103;P260;P262;P263;P264;P270;P280;P304;P312;P340 Axon Medchem 1426
      Warning Axon Medchem 1426

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

Density: 1.2±0.1 g/cm3
Boiling Point: 665.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 111.9±6.0 kJ/mol
Flash Point: 210.0±25.0 °C
Index of Refraction: 1.576
Molar Refractivity: 144.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 6.13
ACD/LogD (pH 5.5): 5.46
ACD/BCF (pH 5.5): 8247.96
ACD/KOC (pH 5.5): 22126.42
ACD/LogD (pH 7.4): 5.46
ACD/BCF (pH 7.4): 8247.96
ACD/KOC (pH 7.4): 22126.42
Polar Surface Area: 99 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 51.9±5.0 dyne/cm
Molar Volume: 437.0±5.0 cm3

Click to predict properties on the Chemicalize site