ChemSpider 2D Image | (1S,5S,5aS,5bR,6R,6aS,6bR,7R,8aS,9aS,10aS,11R,11aR,11bS,13S,13aR,13bS)-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-oxire no[6',7']naphtho[1',2':7,8]fluoreno[2,1-b]furan-6,11,13-triyl triacetate | C34H44O12

(1S,5S,5aS,5bR,6R,6aS,6bR,7R,8aS,9aS,10aS,11R,11aR,11bS,13S,13aR,13bS)-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-oxire no[6',7']naphtho[1',2':7,8]fluoreno[2,1-b]furan-6,11,13-triyl triacetate

  • Molecular FormulaC34H44O12
  • Average mass644.706 Da
  • Monoisotopic mass644.283264 Da
  • ChemSpider ID26619292

  • defined stereocentres - 17 of 17 defined stereocentres

More details:

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

(1S,5S,5aS,5bR,6R,6aS,6bR,7R,8aS,9aS,10aS,11R,11aR,11bS,13S,13aR,13bS)-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-oxire no[6',7']naphtho[1',2':7,8]fluoreno[2,1-b]furan-6,11,13-triyl triacetate [ACD/IUPAC Name]
(1S,5S,5aS,5bR,6R,6aS,6bR,7R,8aS,9aS,10aS,11R,11aR,11bS,13S,13aR,13bS)-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-oxire no[6',7']naphtho[1',2':7,8]fluoreno[2,1-b]furan-6,11,13-triyl-triacetat [German] [ACD/IUPAC Name]
1H-Oxireno[6',7']naphtho[1',2':7,8]fluoreno[2,1-b]furan-4,8-dione, 6,11,13-tris(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-pentamethyl -, (1S,5S,5aS,5bR,6R,6aS,6bR,7R,8aS,9aS,10aS,11R,11aR,11bS,13S,13aR,13bS)- [ACD/Index Name]
Triacétate de (1S,5S,5aS,5bR,6R,6aS,6bR,7R,8aS,9aS,10aS,11R,11aR,11bS,13S,13aR,13bS)-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-icosa hydro-1H-oxiréno[6',7']naphto[1',2':7,8]fluoréno[2,1-b]furane-6,11,13-triyle [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: 744.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.6 mmHg at 25°C
Enthalpy of Vaporization: 123.8±6.0 kJ/mol
Flash Point: 231.9±26.4 °C
Index of Refraction: 1.593
Molar Refractivity: 157.0±0.4 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 2.32
ACD/LogD (pH 5.5): 2.32
ACD/BCF (pH 5.5): 33.84
ACD/KOC (pH 5.5): 432.91
ACD/LogD (pH 7.4): 2.32
ACD/BCF (pH 7.4): 33.84
ACD/KOC (pH 7.4): 432.89
Polar Surface Area: 175 Å2
Polarizability: 62.2±0.5 10-24cm3
Surface Tension: 60.3±5.0 dyne/cm
Molar Volume: 462.9±5.0 cm3

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