ChemSpider 2D Image | (3S,6R,8aS,8bR,10aR,12R,13R,14aS,14bS)-12-(beta-D-Glucopyranosyloxy)-6-hydroxy-14a-(hydroxymethyl)-3,8a,8b,11,11-pentamethyl-1-oxo-1,2,2a,3,4,7,8,8a,8b,9,10,10a,11,12,13,14,14a,14b,15,16-icosahydrophe nanthro[2',1':4,5]indeno[7a,1-c]pyran-13-yl acetate | C38H58O12

(3S,6R,8aS,8bR,10aR,12R,13R,14aS,14bS)-12-(β-D-Glucopyranosyloxy)-6-hydroxy-14a-(hydroxymethyl)-3,8a,8b,11,11-pentamethyl-1-oxo-1,2,2a,3,4,7,8,8a,8b,9,10,10a,11,12,13,14,14a,14b,15,16-icosahydrophe nanthro[2',1':4,5]indeno[7a,1-c]pyran-13-yl acetate

  • Molecular FormulaC38H58O12
  • Average mass706.860 Da
  • Monoisotopic mass706.392822 Da
  • ChemSpider ID9940034

  • defined stereocentres - 14 of 16 defined stereocentres

More details:

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

(3S,6R,8aS,8bR,10aR,12R,13R,14aS,14bS)-12-(β-D-Glucopyranosyloxy)-6-hydroxy-14a-(hydroxymethyl)-3,8a,8b,11,11-pentamethyl-1-oxo-1,2,2a,3,4,7,8,8a,8b,9,10,10a,11,12,13,14,14a,14b,15,16-icosahydrophe nanthro[2',1':4,5]indeno[7a,1-c]pyran-13-yl acetate [ACD/IUPAC Name]
(3S,6R,8aS,8bR,10aR,12R,13R,14aS,14bS)-12-(β-D-Glucopyranosyloxy)-6-hydroxy-14a-(hydroxymethyl)-3,8a,8b,11,11-pentamethyl-1-oxo-1,2,2a,3,4,7,8,8a,8b,9,10,10a,11,12,13,14,14a,14b,15,16-icosahydrophe nanthro[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-(β-D-glucopyranosyloxy)-2,2a,3,4,8,8a,8b,9,10,10a,11,12,13,14,14a,14b,15,16-octadecahydro-6-hydroxy-14a-(hydroxymethyl)-3,8a ,8b,11,11-pentamethyl-, (3S,6R,8aS,8bR,10aR,12R,13R,14aS,14bS)- [ACD/Index Name]
Acétate de (3S,6R,8aS,8bR,10aR,12R,13R,14aS,14bS)-12-(β-D-glucopyranosyloxy)-6-hydroxy-14a-(hydroxyméthyl)-3,8a,8b,11,11-pentaméthyl-1-oxo-1,2,2a,3,4,7,8,8a,8b,9,10,10a,11,12,13,14,14a,14b,15,16-ic osahydrophénanthro[2',1':4,5]indéno[7a,1-c]pyran-13-yle [French] [ACD/IUPAC Name]
hyalodendroside A

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

Density: 1.4±0.1 g/cm3
Boiling Point: 835.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 138.2±6.0 kJ/mol
Flash Point: 253.2±27.8 °C
Index of Refraction: 1.607
Molar Refractivity: 179.3±0.4 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 1.30
ACD/LogD (pH 5.5): 1.98
ACD/BCF (pH 5.5): 18.97
ACD/KOC (pH 5.5): 286.00
ACD/LogD (pH 7.4): 1.98
ACD/BCF (pH 7.4): 18.96
ACD/KOC (pH 7.4): 286.00
Polar Surface Area: 192 Å2
Polarizability: 71.1±0.5 10-24cm3
Surface Tension: 65.5±5.0 dyne/cm
Molar Volume: 519.2±5.0 cm3

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