ChemSpider 2D Image | (1S,5S,5aR,5bR,6R,6aS,6bS,7S,8aR,9aS,10aS,11R,11aS,11bS,12S,13S,13aS,13bR)-5,7-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-o xireno[6',7']naphtho[1',2':7,8]fluoreno[2,1-b]furan-6,11,12,13-tetrayl tetraacetate | C36H46O14

(1S,5S,5aR,5bR,6R,6aS,6bS,7S,8aR,9aS,10aS,11R,11aS,11bS,12S,13S,13aS,13bR)-5,7-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-o xireno[6',7']naphtho[1',2':7,8]fluoreno[2,1-b]furan-6,11,12,13-tetrayl tetraacetate

  • Molecular FormulaC36H46O14
  • Average mass702.742 Da
  • Monoisotopic mass702.288757 Da
  • ChemSpider ID114391940

  • defined stereocentres - 18 of 18 defined stereocentres

More details:

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

(1S,5S,5aR,5bR,6R,6aS,6bS,7S,8aR,9aS,10aS,11R,11aS,11bS,12S,13S,13aS,13bR)-5,7-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-o xireno[6',7']naphtho[1',2':7,8]fluoreno[2,1-b]furan-6,11,12,13-tetrayl tetraacetate [ACD/IUPAC Name]
(1S,5S,5aR,5bR,6R,6aS,6bS,7S,8aR,9aS,10aS,11R,11aS,11bS,12S,13S,13aS,13bR)-5,7-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-o xireno[6',7']naphtho[1',2':7,8]fluoreno[2,1-b]furan-6,11,12,13-tetrayl-tetraacetat [German] [ACD/IUPAC Name]
1H-Oxireno[6',7']naphtho[1',2':7,8]fluoreno[2,1-b]furan-4,8-dione, 6,11,12,13-tetrakis(acetyloxy)-5,5a,5b,6,6a,6b,7,8a,9,9a,10a,11,11a,11b,12,13,13a,13b-octadecahydro-5,7-dihydroxy-1,5,5a,11a,13a-pent amethyl-, (1S,5S,5aR,5bR,6R,6aS,6bS,7S,8aR,9aS,10aS,11R,11aS,11bS,12S,13S,13aS,13bR)- [ACD/Index Name]
Tetraacétate de (1S,5S,5aR,5bR,6R,6aS,6bS,7S,8aR,9aS,10aS,11R,11aS,11bS,12S,13S,13aS,13bR)-5,7-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-6,11,12,13-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: 776.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.1 mmHg at 25°C
Enthalpy of Vaporization: 128.9±6.0 kJ/mol
Flash Point: 237.8±26.4 °C
Index of Refraction: 1.590
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: 2.49
ACD/LogD (pH 5.5): 2.29
ACD/BCF (pH 5.5): 32.44
ACD/KOC (pH 5.5): 420.02
ACD/LogD (pH 7.4): 2.29
ACD/BCF (pH 7.4): 32.44
ACD/KOC (pH 7.4): 419.99
Polar Surface Area: 202 Å2
Polarizability: 66.6±0.5 10-24cm3
Surface Tension: 61.2±5.0 dyne/cm
Molar Volume: 498.1±5.0 cm3

Click to predict properties on the Chemicalize site


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