ChemSpider 2D Image | 5,7,12-Trihydroxy-1,5,11a,13a-tetramethyl-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-6,11,13-triyl triaceta te | C33H42O13

5,7,12-Trihydroxy-1,5,11a,13a-tetramethyl-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-6,11,13-triyl triaceta te

  • Molecular FormulaC33H42O13
  • Average mass646.679 Da
  • Monoisotopic mass646.262512 Da
  • ChemSpider ID4479275

More details:

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

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-5,7,12-trihydroxy-1,5,11a,13a-tetramethy l- [ACD/Index Name]
5,7,12-Trihydroxy-1,5,11a,13a-tetramethyl-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-6,11,13-triyl triaceta te [ACD/IUPAC Name]
5,7,12-Trihydroxy-1,5,11a,13a-tetramethyl-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-6,11,13-triyl-triaceta t [German] [ACD/IUPAC Name]
Triacétate de 5,7,12-trihydroxy-1,5,11a,13a-tétraméthyl-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-6,11,13- triyle [French] [ACD/IUPAC Name]
Taccalonolide F

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

Density: 1.5±0.1 g/cm3
Boiling Point: 772.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 128.3±6.0 kJ/mol
Flash Point: 243.8±26.4 °C
Index of Refraction: 1.608
Molar Refractivity: 153.8±0.4 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 1.02
ACD/LogD (pH 5.5): 1.11
ACD/BCF (pH 5.5): 4.11
ACD/KOC (pH 5.5): 95.72
ACD/LogD (pH 7.4): 1.11
ACD/BCF (pH 7.4): 4.11
ACD/KOC (pH 7.4): 95.71
Polar Surface Area: 195 Å2
Polarizability: 61.0±0.5 10-24cm3
Surface Tension: 65.7±5.0 dyne/cm
Molar Volume: 444.9±5.0 cm3

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