ChemSpider 2D Image | 12-(Hexopyranosyloxy)-6-hydroxy-3,8a,8b,11,11,14a-hexamethyl-1-oxo-1,2,2a,3,4,7,8,8a,8b,9,10,10a,11,12,13,14,14a,14b,15,16-icosahydrophenanthro[2',1':4,5]indeno[7a,1-c]pyran-13-yl acetate | C38H58O11

12-(Hexopyranosyloxy)-6-hydroxy-3,8a,8b,11,11,14a-hexamethyl-1-oxo-1,2,2a,3,4,7,8,8a,8b,9,10,10a,11,12,13,14,14a,14b,15,16-icosahydrophenanthro[2',1':4,5]indeno[7a,1-c]pyran-13-yl acetate

  • Molecular FormulaC38H58O11
  • Average mass690.860 Da
  • Monoisotopic mass690.397888 Da
  • ChemSpider ID7985957

More details:

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

12-(Hexopyranosyloxy)-6-hydroxy-3,8a,8b,11,11,14a-hexamethyl-1-oxo-1,2,2a,3,4,7,8,8a,8b,9,10,10a,11,12,13,14,14a,14b,15,16-icosahydrophenanthro[2',1':4,5]indeno[7a,1-c]pyran-13-yl acetate [ACD/IUPAC Name]
12-(Hexopyranosyloxy)-6-hydroxy-3,8a,8b,11,11,14a-hexamethyl-1-oxo-1,2,2a,3,4,7,8,8a,8b,9,10,10a,11,12,13,14,14a,14b,15,16-icosahydrophenanthro[2',1':4,5]indeno[7a,1-c]pyran-13-yl-acetat [German] [ACD/IUPAC Name]
6H-Phenanthro[2',1':4,5]indeno[7a,1-c]pyran-1(7H)-one, 13-(acetyloxy)-12-(hexopyranosyloxy)-2,2a,3,4,8,8a,8b,9,10,10a,11,12,13,14,14a,14b,15,16-octadecahydro-6-hydroxy-3,8a,8b,11,11,14a-hexamethyl- [ACD/Index Name]
Acétate de 12-(hexopyranosyloxy)-6-hydroxy-3,8a,8b,11,11,14a-hexaméthyl-1-oxo-1,2,2a,3,4,7,8,8a,8b,9,10,10a,11,12,13,14,14a,14b,15,16-icosahydrophénanthro[2',1':4,5]indéno[7a,1-c]pyran-13-yle [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: 801.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.4 mmHg at 25°C
Enthalpy of Vaporization: 132.8±6.0 kJ/mol
Flash Point: 242.2±27.8 °C
Index of Refraction: 1.597
Molar Refractivity: 177.8±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 3.13
ACD/LogD (pH 5.5): 3.32
ACD/BCF (pH 5.5): 195.74
ACD/KOC (pH 5.5): 1520.55
ACD/LogD (pH 7.4): 3.32
ACD/BCF (pH 7.4): 195.74
ACD/KOC (pH 7.4): 1520.53
Polar Surface Area: 172 Å2
Polarizability: 70.5±0.5 10-24cm3
Surface Tension: 61.1±5.0 dyne/cm
Molar Volume: 522.1±5.0 cm3

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