ChemSpider 2D Image | briarenol A | C26H38O10

briarenol A

  • Molecular FormulaC26H38O10
  • Average mass510.574 Da
  • Monoisotopic mass510.246490 Da
  • ChemSpider ID10481105

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(1R,2S,4S,4aS,5R,6S,8Z,9aS,12aR,13S,13aS)-4-Acetoxy-2,5,13-trihydroxy-1,4a,8,11a-tetramethyl-11-oxo-2,3,4,4a,5,6,7,9a,11,11a,13,13a-dodecahydro-1H-benzo[4,5]cyclodeca[1,2-b]oxireno[c]furan-6-yl butyra te [ACD/IUPAC Name]
(1R,2S,4S,4aS,5R,6S,8Z,9aS,12aR,13S,13aS)-4-Acetoxy-2,5,13-trihydroxy-1,4a,8,11a-tetramethyl-11-oxo-2,3,4,4a,5,6,7,9a,11,11a,13,13a-dodecahydro-1H-benzo[4,5]cyclodeca[1,2-b]oxireno[c]furan-6-ylbutyrat [German] [ACD/IUPAC Name]
briarenol A
Butanoic acid, (1R,2S,4S,4aS,5R,6S,8Z,9aS,12aR,13S,13aS)-4-(acetyloxy)-2,3,4,4a,5,6,7,9a,11,11a,13,13a-dodecahydro-2,5,13-trihydroxy-1,4a,8,11a-tetramethyl-11-oxo-1H-benzo[4,5]cyclodec[1,2-b]oxireno[c ]furan-6-yl ester [ACD/Index Name]
Butyrate de (1R,2S,4S,4aS,5R,6S,8Z,9aS,12aR,13S,13aS)-4-acétoxy-2,5,13-trihydroxy-1,4a,8,11a-tétraméthyl-11-oxo-2,3,4,4a,5,6,7,9a,11,11a,13,13a-dodécahydro-1H-benzo[4,5]cyclodéca[1,2-b]oxiréno[c]furan -6-yle [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 635.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 107.5±6.0 kJ/mol
Flash Point: 206.1±25.0 °C
Index of Refraction: 1.566
Molar Refractivity: 125.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 1.00
ACD/LogD (pH 5.5): 1.15
ACD/BCF (pH 5.5): 4.40
ACD/KOC (pH 5.5): 100.47
ACD/LogD (pH 7.4): 1.15
ACD/BCF (pH 7.4): 4.40
ACD/KOC (pH 7.4): 100.47
Polar Surface Area: 152 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 56.9±5.0 dyne/cm
Molar Volume: 385.2±5.0 cm3

Click to predict properties on the Chemicalize site


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