ChemSpider 2D Image | (1S,5S,5aS,6R,7R,9aS,10aS,11R,11aS,13S,13aR)-5,8a-Dihydroxy-1,5,5a,11a,13a-pentamethyl-4,8-dioxo-4,5,5a,5b,6,6a,6b,7,8,8a,9,9a,10a,11,11a,11b,12,13,13a,13b-icosahydro-1H-oxireno[6',7']naphtho[1',2':7, 8]fluoreno[2,1-b]furan-6,7,11,13-tetrayl tetraacetate | C36H46O14

(1S,5S,5aS,6R,7R,9aS,10aS,11R,11aS,13S,13aR)-5,8a-Dihydroxy-1,5,5a,11a,13a-pentamethyl-4,8-dioxo-4,5,5a,5b,6,6a,6b,7,8,8a,9,9a,10a,11,11a,11b,12,13,13a,13b-icosahydro-1H-oxireno[6',7']naphtho[1',2':7, 8]fluoreno[2,1-b]furan-6,7,11,13-tetrayl tetraacetate

  • Molecular FormulaC36H46O14
  • Average mass702.742 Da
  • Monoisotopic mass702.288757 Da
  • ChemSpider ID8365812

  • defined stereocentres - 11 of 17 defined stereocentres

More details:

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

(1S,5S,5aS,6R,7R,9aS,10aS,11R,11aS,13S,13aR)-5,8a-Dihydroxy-1,5,5a,11a,13a-pentamethyl-4,8-dioxo-4,5,5a,5b,6,6a,6b,7,8,8a,9,9a,10a,11,11a,11b,12,13,13a,13b-icosahydro-1H-oxireno[6',7']naphtho[1',2':7, 8]fluoreno[2,1-b]furan-6,7,11,13-tetrayl tetraacetate [ACD/IUPAC Name]
(1S,5S,5aS,6R,7R,9aS,10aS,11R,11aS,13S,13aR)-5,8a-Dihydroxy-1,5,5a,11a,13a-pentamethyl-4,8-dioxo-4,5,5a,5b,6,6a,6b,7,8,8a,9,9a,10a,11,11a,11b,12,13,13a,13b-icosahydro-1H-oxireno[6',7']naphtho[1',2':7, 8]fluoreno[2,1-b]furan-6,7,11,13-tetrayl-tetraacetat [German] [ACD/IUPAC Name]
1H-Oxireno[6',7']naphtho[1',2':7,8]fluoreno[2,1-b]furan-4,8-dione, 6,7,11,13-tetrakis(acetyloxy)-5,5a,5b,6,6a,6b,7,8a,9,9a,10a,11,11a,11b,12,13,13a,13b-octadecahydro-5,8a-dihydroxy-1,5,5a,11a,13a-pent amethyl-, (1S,5S,5aS,6R,7R,9aS,10aS,11R,11aS,13S,13aR)- [ACD/Index Name]
Tetraacétate de (1S,5S,5aS,6R,7R,9aS,10aS,11R,11aS,13S,13aR)-5,8a-dihydroxy-1,5,5a,11a,13a-pentaméthyl-4,8-dioxo-4,5,5a,5b,6,6a,6b,7,8,8a,9,9a,10a,11,11a,11b,12,13,13a,13b-icosahydro-1H-oxiréno[6',7'] naphto[1',2':7,8]fluoréno[2,1-b]furane-6,7,11,13-tétrayle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 771.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 128.1±6.0 kJ/mol
Flash Point: 236.0±26.4 °C
Index of Refraction: 1.591
Molar Refractivity: 168.1±0.4 cm3
#H bond acceptors: 14
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 2.71
ACD/LogD (pH 5.5): 2.51
ACD/BCF (pH 5.5): 47.56
ACD/KOC (pH 5.5): 552.28
ACD/LogD (pH 7.4): 2.51
ACD/BCF (pH 7.4): 47.49
ACD/KOC (pH 7.4): 551.51
Polar Surface Area: 202 Å2
Polarizability: 66.6±0.5 10-24cm3
Surface Tension: 61.7±5.0 dyne/cm
Molar Volume: 497.3±5.0 cm3

Click to predict properties on the Chemicalize site


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