ChemSpider 2D Image | rubiarbonol G | C32H52O5

rubiarbonol G

  • Molecular FormulaC32H52O5
  • Average mass516.752 Da
  • Monoisotopic mass516.381470 Da
  • ChemSpider ID26616178

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(1R,3S,3aR,5aS,5bS,6S,7aR,9S,11aS,13aR,13bR)-6,9-Dihydroxy-3a-(hydroxymethyl)-3-isopropyl-5a,8,8,11a,13a-pentamethyl-2,3,3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,13,13a,13b-octadecahydro-1H-cyclopenta[a]chry sen-1-yl acetate [ACD/IUPAC Name]
(1R,3S,3aR,5aS,5bS,6S,7aR,9S,11aS,13aR,13bR)-6,9-Dihydroxy-3a-(hydroxymethyl)-3-isopropyl-5a,8,8,11a,13a-pentamethyl-2,3,3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,13,13a,13b-octadecahydro-1H-cyclopenta[a]chry sen-1-yl-acetat [German] [ACD/IUPAC Name]
1H-Cyclopenta[a]chrysene-1,6,9-triol, 2,3,3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,13,13a,13b-octadecahydro-3a-(hydroxymethyl)-5a,8,8,11a,13a-pentamethyl-3-(1-methylethyl)-, 1-acetate, (1R,3S,3aR,5aS,5bS,6S, 7aR,9S,11aS,13aR,13bR)- [ACD/Index Name]
Acétate de (1R,3S,3aR,5aS,5bS,6S,7aR,9S,11aS,13aR,13bR)-6,9-dihydroxy-3a-(hydroxyméthyl)-3-isopropyl-5a,8,8,11a,13a-pentaméthyl-2,3,3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,13,13a,13b-octadécahydro-1H-cyclop enta[a]chrysén-1-yle [French] [ACD/IUPAC Name]
rubiarbonol G
(1R,3S,3aR,5aS,5bS,6S,7aR,9S,11aS,13aR,13bR)-6,9-dihydroxy-3a-(hydroxymethyl)-5a,8,8,11a,13a-pentamethyl-3-(propan-2-yl)-2,3,3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,13,13a,13b-octadecahydro-1H-cyclopenta[a]
(1R,3S,3aR,5aS,5bS,6S,7aR,9S,11aS,13aR,13bR)-6,9-dihydroxy-3a-(hydroxymethyl)-5a,8,8,11a,13a-pentamethyl-3-(propan-2-yl)-2,3,3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysen-1-yl acetate
chrysen-1-yl acetate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 599.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 102.5±6.0 kJ/mol
Flash Point: 182.7±23.6 °C
Index of Refraction: 1.559
Molar Refractivity: 146.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 5.92
ACD/LogD (pH 5.5): 5.89
ACD/BCF (pH 5.5): 17499.56
ACD/KOC (pH 5.5): 37909.31
ACD/LogD (pH 7.4): 5.89
ACD/BCF (pH 7.4): 17499.56
ACD/KOC (pH 7.4): 37909.31
Polar Surface Area: 87 Å2
Polarizability: 57.9±0.5 10-24cm3
Surface Tension: 47.9±5.0 dyne/cm
Molar Volume: 452.3±5.0 cm3

Click to predict properties on the Chemicalize site


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