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Search term: HJCQEFXCUBGQOE (Found by InChIKey (skeleton match))
ChemSpider 2D Image | rubiyunnanol C | C30H48O5

rubiyunnanol C

  • Molecular FormulaC30H48O5
  • Average mass488.699 Da
  • Monoisotopic mass488.350189 Da
  • ChemSpider ID30786434

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1R,3S,3aR,5aR,7aR,9S,11aS,12R,13aR,13bR)-1,9,12-Trihydroxy-3a-(hydroxymethyl)-3-isopropyl-5a,8,8,11a,13a-pentamethyl-1,2,3,3a,4,5,5a,7,7a,8,9,10,11,11a,12,13,13a,13b-octadecahydro-6H-cyclopenta[a]chr ysen-6-on [German] [ACD/IUPAC Name]
(1R,3S,3aR,5aR,7aR,9S,11aS,12R,13aR,13bR)-1,9,12-Trihydroxy-3a-(hydroxymethyl)-3-isopropyl-5a,8,8,11a,13a-pentamethyl-1,2,3,3a,4,5,5a,7,7a,8,9,10,11,11a,12,13,13a,13b-octadecahydro-6H-cyclopenta[a]chr ysen-6-one [ACD/IUPAC Name]
(1R,3S,3aR,5aR,7aR,9S,11aS,12R,13aR,13bR)-1,9,12-Trihydroxy-3a-(hydroxyméthyl)-3-isopropyl-5a,8,8,11a,13a-pentaméthyl-1,2,3,3a,4,5,5a,7,7a,8,9,10,11,11a,12,13,13a,13b-octadécahydro-6H-cyclopenta[a]chr ysén-6-one [French] [ACD/IUPAC Name]
1338922-43-2 [RN]
6H-Cyclopenta[a]chrysen-6-one, 1,2,3,3a,4,5,5a,7,7a,8,9,10,11,11a,12,13,13a,13b-octadecahydro-1,9,12-trihydroxy-3a-(hydroxymethyl)-5a,8,8,11a,13a-pentamethyl-3-(1-methylethyl)-, (1R,3S,3aR,5aR,7aR,9S, 11aS,12R,13aR,13bR)- [ACD/Index Name]
rubiyunnanol C
(1R,3S,3aR,5aR,7aR,9S,11aS,12R,13aR,13bR)-1,9,12-trihydroxy-3a-(hydroxymethyl)-5a,8,8,11a,13a-pentamethyl-3-(propan-2-yl)-1,2,3,3a,4,5,5a,7,7a,8,9,10,11,11a,12,13,13a,13b-octadecahydro-6H-cyclopenta[a
(1R,3S,3aR,5aR,7aR,9S,11aS,12R,13aR,13bR)-1,9,12-trihydroxy-3a-(hydroxymethyl)-5a,8,8,11a,13a-pentamethyl-3-(propan-2-yl)-1,2,3,3a,4,5,5a,7,7a,8,9,10,11,11a,12,13,13a,13b-octadecahydro-6H-cyclopenta[a]chrysen-6-one
]chrysen-6-one
3β,11α,19α,28-tetrahydroxyarbor-8-en-7-one

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

Density: 1.2±0.1 g/cm3
Boiling Point: 629.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 106.7±6.0 kJ/mol
Flash Point: 348.4±28.0 °C
Index of Refraction: 1.578
Molar Refractivity: 136.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.21
ACD/LogD (pH 5.5): 3.74
ACD/BCF (pH 5.5): 413.36
ACD/KOC (pH 5.5): 2596.39
ACD/LogD (pH 7.4): 3.74
ACD/BCF (pH 7.4): 413.36
ACD/KOC (pH 7.4): 2596.39
Polar Surface Area: 98 Å2
Polarizability: 54.0±0.5 10-24cm3
Surface Tension: 52.4±5.0 dyne/cm
Molar Volume: 410.7±5.0 cm3

Click to predict properties on the Chemicalize site


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