ChemSpider 2D Image | Arjunetin | C36H58O10

Arjunetin

  • Molecular FormulaC36H58O10
  • Average mass650.840 Da
  • Monoisotopic mass650.403015 Da
  • ChemSpider ID2314556

  • defined stereocentres - 13 of 14 defined stereocentres

More details:

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

1-O-[(2β,3α,5ξ,9β,18α)-2,3,25-Trihydroxy-28-oxoolean-12-en-28-yl]-β-D-glucopyranose [ACD/IUPAC Name]
1-O-[(2β,3α,5ξ,9β,18α)-2,3,25-Trihydroxy-28-oxoolean-12-en-28-yl]-β-D-glucopyranose [German] [ACD/IUPAC Name]
1-O-[(2β,3α,5ξ,9β,18α)-2,3,25-Trihydroxy-28-oxooléan-12-én-28-yl]-β-D-glucopyranose [French] [ACD/IUPAC Name]
31297-79-7 [RN]
Arjunetin
β-D-Glucopyranose, 1-O-[(2β,3α,5ξ,9β,18α)-2,3,25-trihydroxy-28-oxoolean-12-en-28-yl]- [ACD/Index Name]
(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL (4AS,6AS,6BR,10S,11S,12AS,12BR,14BR)-10,11-DIHYDROXY-12A-(HYDROXYMETHYL)-2,2,6A,6B,9,9-HEXAMETHYL-1,3,4,5,6,7,8,8A,10,11,12,12B,13,14B-TETRADECAHYDROPICENE-4A-CARBOXYLATE
[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aR,6aS,6bR,10S,11S,12aS,14bR)-10,11-dihydroxy-12a-(hydroxymethyl)-2,2,6a,6b,9,9-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
OLEAN-12-EN-28-OICACID, 2,3,19-TRIHYDROXY-, B-D-GLUCOPYRANOSYL ESTER, (2A,3B,19A)-
β-D-Glucopyranosyl 2α,3β,19α-trihydroolean-12-en-28-oate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 744.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.6 mmHg at 25°C
Enthalpy of Vaporization: 123.9±6.0 kJ/mol
Flash Point: 224.7±26.4 °C
Index of Refraction: 1.606
Molar Refractivity: 170.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 4
ACD/LogP: 5.21
ACD/LogD (pH 5.5): 4.66
ACD/BCF (pH 5.5): 2033.35
ACD/KOC (pH 5.5): 8121.09
ACD/LogD (pH 7.4): 4.66
ACD/BCF (pH 7.4): 2033.32
ACD/KOC (pH 7.4): 8120.99
Polar Surface Area: 177 Å2
Polarizability: 67.5±0.5 10-24cm3
Surface Tension: 64.8±5.0 dyne/cm
Molar Volume: 494.0±5.0 cm3

Click to predict properties on the Chemicalize site


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