ChemSpider 2D Image | (3alpha,5alpha,7alpha,13alpha,17alpha,20R,23S)-7-[(6-O-Acetylhexopyranosyl)oxy]-23-hydroxy-4,4,8-trimethyl-22-methylene-13,24-cyclo-18-norchol-14-en-3-yl acetate | C37H56O10

(3α,5α,7α,13α,17α,20R,23S)-7-[(6-O-Acetylhexopyranosyl)oxy]-23-hydroxy-4,4,8-trimethyl-22-methylene-13,24-cyclo-18-norchol-14-en-3-yl acetate

  • Molecular FormulaC37H56O10
  • Average mass660.834 Da
  • Monoisotopic mass660.387329 Da
  • ChemSpider ID341643

  • defined stereocentres - 10 of 15 defined stereocentres

More details:

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

(3α,5α,7α,13α,17α,20R,23S)-7-[(6-O-Acetylhexopyranosyl)oxy]-23-hydroxy-4,4,8-trimethyl-22-methylen-13,24-cyclo-18-norchol-14-en-3-yl-acetat [German] [ACD/IUPAC Name]
(3α,5α,7α,13α,17α,20R,23S)-7-[(6-O-Acetylhexopyranosyl)oxy]-23-hydroxy-4,4,8-trimethyl-22-methylene-13,24-cyclo-18-norchol-14-en-3-yl acetate [ACD/IUPAC Name]
Acétate de (3α,5α,7α,13α,17α,20R,23S)-7-[(6-O-acétylhexopyranosyl)oxy]-23-hydroxy-4,4,8-triméthyl-22-méthylène-13,24-cyclo-18-norchol-14-én-3-yle [French] [ACD/IUPAC Name]
Hexopyranoside, (2S,4R,4aS,6bR,7R,8aR,10R,12aS,12bR,14aR)-10-(acetyloxy)-1,2,3,4,4a,5,6b,7,8,8a,9,10,11,12,12a,12b,13,14-octadecahydro-2-hydroxy-4,6b,9,9,12a-pentamethyl-3-methyleneindeno[1,7a-a]phena nthren-7-yl, 6-acetate [ACD/Index Name]
Benz[13,17]-18-norandrosta-13(17),14-diene-3,5', 7-triol, 3-O-acetyl-7-O-(6-O-acetyl-β-D-glucopyranosyl)- 1', 2',3',4',5',6'-hexahydro-3',4,4,8-tetramethyl- 4'-methylene-, (3-α,3'-α,5-α, 5'-α,7-α,13-α, 17-α)-
Indeno[1,7a-a]phenanthrene-2,7,10-triol, 10-O-acetyl-7-O-(6-O-acetyl-β-D-glucopyranosyl)- 1,2,3,4,4a, 5,6b,7,8,8a,9,10,11,12,12a,12b,13,14- octadecahydro-4,6b,9,9, 12a-pentamethyl-3-methylene-, (2-α,4-α,4a-α, 6b-β,7-α, 8a-α,10-α,12a-β,12b-α, 14a-α)-

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

NCI60_027262 [DBID]
NSC676814 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 738.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 122.9±6.0 kJ/mol
Flash Point: 221.4±26.4 °C
Index of Refraction: 1.578
Molar Refractivity: 173.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 6.91
ACD/LogD (pH 5.5): 5.94
ACD/BCF (pH 5.5): 19220.53
ACD/KOC (pH 5.5): 40542.02
ACD/LogD (pH 7.4): 5.94
ACD/BCF (pH 7.4): 19220.36
ACD/KOC (pH 7.4): 40541.66
Polar Surface Area: 152 Å2
Polarizability: 68.8±0.5 10-24cm3
Surface Tension: 55.3±5.0 dyne/cm
Molar Volume: 522.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement