ChemSpider 2D Image | isoepitaondiol diacetate | C31H44O5

isoepitaondiol diacetate

  • Molecular FormulaC31H44O5
  • Average mass496.678 Da
  • Monoisotopic mass496.318878 Da
  • ChemSpider ID27025966
  • defined stereocentres - 7 of 7 defined stereocentres


More details:






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

(2S,4aR,4bR,6aR,12aS,12bR,14aR)-1,1,4a,6a,8,12b-Hexamethyl-2,3,4,4a,4b,5,6,6a,12,12a,12b,13,14,14a-tetradecahydro-1H-naphtho[2,1-a]xanthen-2,10-diyl-diacetat [German] [ACD/IUPAC Name]
(2S,4aR,4bR,6aR,12aS,12bR,14aR)-1,1,4a,6a,8,12b-Hexamethyl-2,3,4,4a,4b,5,6,6a,12,12a,12b,13,14,14a-tetradecahydro-1H-naphtho[2,1-a]xanthene-2,10-diyl diacetate [ACD/IUPAC Name]
1H-Naphtho[2,1-a]xanthene-2,10-diol, 2,3,4,4a,4b,5,6,6a,12,12a,12b,13,14,14a-tetradecahydro-1,1,4a,6a,8,12b-hexamethyl-, diacetate, (2S,4aR,4bR,6aR,12aS,12bR,14aR)- [ACD/Index Name]
Diacétate de (2S,4aR,4bR,6aR,12aS,12bR,14aR)-1,1,4a,6a,8,12b-hexaméthyl-2,3,4,4a,4b,5,6,6a,12,12a,12b,13,14,14a-tétradécahydro-1H-naphto[2,1-a]xanthène-2,10-diyle [French] [ACD/IUPAC Name]
isoepitaondiol diacetate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 553.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.4±3.0 kJ/mol
Flash Point: 230.9±30.2 °C
Index of Refraction: 1.553
Molar Refractivity: 139.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 8.66
ACD/LogD (pH 5.5): 8.44
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 924992.81
ACD/LogD (pH 7.4): 8.44
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 924992.81
Polar Surface Area: 62 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 45.0±5.0 dyne/cm
Molar Volume: 436.4±5.0 cm3

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