ChemSpider 2D Image | (3beta,5xi,18alpha)-3-{[2-O-(alpha-D-Glucopyranosyl)-alpha-L-arabinopyranosyl]oxy}olean-12-en-28-oic acid | C41H66O12

(3β,5ξ,18α)-3-{[2-O-(α-D-Glucopyranosyl)-α-L-arabinopyranosyl]oxy}olean-12-en-28-oic acid

  • Molecular FormulaC41H66O12
  • Average mass750.956 Da
  • Monoisotopic mass750.455444 Da
  • ChemSpider ID4956277

  • defined stereocentres - 16 of 17 defined stereocentres

More details:

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

(3β,5ξ,18α)-3-{[2-O-(α-D-Glucopyranosyl)-α-L-arabinopyranosyl]oxy}olean-12-en-28-oic acid [ACD/IUPAC Name]
(3β,5ξ,18α)-3-{[2-O-(α-D-Glucopyranosyl)-α-L-arabinopyranosyl]oxy}olean-12-en-28-säure [German] [ACD/IUPAC Name]
Acide (3β,5ξ,18α)-3-{[2-O-(α-D-glucopyranosyl)-α-L-arabinopyranosyl]oxy}oléan-12-én-28-oïque [French] [ACD/IUPAC Name]
Olean-12-en-28-oic acid, 3-[(2-O-α-D-glucopyranosyl-α-L-arabinopyranosyl)oxy]-, (3β,5ξ,18α)- [ACD/Index Name]
(4AS,6AS,6AS,6BR,10S,12AS,14BS)-10-[(2S,3R,4S,5S)-4,5-DIHYDROXY-3-[(2R,3R,4S,5R,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY-OXAN-2-YL]OXY-2,2,6A,6B,9,9,12A-HEPTAMETHYL-1,3,4,5,6,6A,7,8,8A,10,11,12,13,14B-TETRADECAHYDROPICENE-4A-CARBOXYLIC ACID
(4AS,6AS,6BR,10S,12AR,12BR,14BR)-10-{[(2S,3R,4S,5S)-4,5-DIHYDROXY-3-{[(2R,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}OXAN-2-YL]OXY}-2,2,6A,6B,9,9,12A-HEPTAMETHYL-1,2,3,4,4A,5,6,6A,6B,7,8,8A,9,10,11,12,12A,12B,13,14B-ICOSAHYDROPICENE-4A-CARBOXYLIC ACID
(4AS,6AS,6BR,10S,12AR,12BR,14BR)-10-{[(2S,3R,4S,5S)-4,5-DIHYDROXY-3-{[(2R,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}OXAN-2-YL]OXY}-2,2,6A,6B,9,9,12A-HEPTAMETHYL-1,3,4,5,6,7,8,8A,10,11,12,12B,13,14B-TETRADECAHYDROPICENE-4A-CARBOXYLIC ACID
60213-69-6 [RN]
Fatsiaside C
Olean-12-en-28-oic acid, 3-((2-O-β-D-glucopyranosyl-α-L-arabinopyranosyl)oxy)-, (3β)-
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 849.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 140.4±6.0 kJ/mol
Flash Point: 250.7±27.8 °C
Index of Refraction: 1.601
Molar Refractivity: 194.9±0.4 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 4
ACD/LogP: 6.70
ACD/LogD (pH 5.5): 4.85
ACD/BCF (pH 5.5): 1714.79
ACD/KOC (pH 5.5): 3941.22
ACD/LogD (pH 7.4): 3.05
ACD/BCF (pH 7.4): 26.99
ACD/KOC (pH 7.4): 62.04
Polar Surface Area: 196 Å2
Polarizability: 77.3±0.5 10-24cm3
Surface Tension: 63.7±5.0 dyne/cm
Molar Volume: 568.9±5.0 cm3

Click to predict properties on the Chemicalize site


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