Found 6 results

Search term: MF = 'C_{26}H_{37}ClO_{10}'
ChemSpider 2D Image | briviolide C | C26H37ClO10

briviolide C

  • Molecular FormulaC26H37ClO10
  • Average mass545.019 Da
  • Monoisotopic mass544.207520 Da
  • ChemSpider ID10480893

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(1R,3aR,4S,8S,8aS,9R,11R,12R,12aS,13S,13aR)-4-Chlor-11,13a-dihydroxy-1,8a,12-trimethyl-5-methylen-2-oxohexadecahydrobenzo[4,5]cyclodeca[1,2-b]furan-8,9,13-triyl-triacetat [German] [ACD/IUPAC Name]
(1R,3aR,4S,8S,8aS,9R,11R,12R,12aS,13S,13aR)-4-Chloro-11,13a-dihydroxy-1,8a,12-trimethyl-5-methylene-2-oxohexadecahydrobenzo[4,5]cyclodeca[1,2-b]furan-8,9,13-triyl triacetate [ACD/IUPAC Name]
Benzo[4,5]cyclodeca[1,2-b]furan-2(1H)-one, 8,9,13-tris(acetyloxy)-4-chlorotetradecahydro-11,13a-dihydroxy-1,8a,12-trimethyl-5-methylene-, (1R,3aR,4S,8S,8aS,9R,11R,12R,12aS,13S,13aR)- [ACD/Index Name]
briviolide C
Triacétate de (1R,3aR,4S,8S,8aS,9R,11R,12R,12aS,13S,13aR)-4-chloro-11,13a-dihydroxy-1,8a,12-triméthyl-5-méthylène-2-oxohexadécahydrobenzo[4,5]cyclodéca[1,2-b]furane-8,9,13-triyle [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: 608.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 103.7±6.0 kJ/mol
Flash Point: 321.9±31.5 °C
Index of Refraction: 1.541
Molar Refractivity: 131.0±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 1.53
ACD/LogD (pH 5.5): 2.19
ACD/BCF (pH 5.5): 27.22
ACD/KOC (pH 5.5): 370.45
ACD/LogD (pH 7.4): 2.19
ACD/BCF (pH 7.4): 27.22
ACD/KOC (pH 7.4): 370.39
Polar Surface Area: 146 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 51.7±5.0 dyne/cm
Molar Volume: 416.9±5.0 cm3

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