ChemSpider 2D Image | briaranolide G | C26H34O10

briaranolide G

  • Molecular FormulaC26H34O10
  • Average mass506.542 Da
  • Monoisotopic mass506.215210 Da
  • ChemSpider ID9722702

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(4S,4aR,5R,6S,8Z,9aS,11aR,12aS,13S,13aS)-6-Hydroxy-1,4a,8,11a-tetramethyl-11-oxo-4,4a,5,6,7,9a,11,11a,13,13a-decahydro-3H-benzo[4,5]cyclodeca[1,2-b]oxireno[c]furan-4,5,13-triyl triacetate [ACD/IUPAC Name]
(4S,4aR,5R,6S,8Z,9aS,11aR,12aS,13S,13aS)-6-Hydroxy-1,4a,8,11a-tetramethyl-11-oxo-4,4a,5,6,7,9a,11,11a,13,13a-decahydro-3H-benzo[4,5]cyclodeca[1,2-b]oxireno[c]furan-4,5,13-triyl-triacetat [German] [ACD/IUPAC Name]
3H-Benzo[4,5]cyclodec[1,2-b]oxireno[c]furan-11(11aH)-one, 4,5,13-tris(acetyloxy)-4,4a,5,6,7,9a,13,13a-octahydro-6-hydroxy-1,4a,8,11a-tetramethyl-, (4S,4aR,5R,6S,8Z,9aS,11aR,12aS,13S,13aS)- [ACD/Index Name]
briaranolide G
Triacétate de (4S,4aR,5R,6S,8Z,9aS,11aR,12aS,13S,13aS)-6-hydroxy-1,4a,8,11a-tétraméthyl-11-oxo-4,4a,5,6,7,9a,11,11a,13,13a-décahydro-3H-benzo[4,5]cyclodéca[1,2-b]oxiréno[c]furane-4,5,13-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: 600.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 102.6±6.0 kJ/mol
Flash Point: 194.3±25.0 °C
Index of Refraction: 1.558
Molar Refractivity: 124.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 2.06
ACD/LogD (pH 5.5): 2.51
ACD/BCF (pH 5.5): 47.97
ACD/KOC (pH 5.5): 555.70
ACD/LogD (pH 7.4): 2.51
ACD/BCF (pH 7.4): 47.97
ACD/KOC (pH 7.4): 555.70
Polar Surface Area: 138 Å2
Polarizability: 49.2±0.5 10-24cm3
Surface Tension: 52.5±5.0 dyne/cm
Molar Volume: 385.5±5.0 cm3

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