Found 1 result

Search term: DRCRIEWXXYROPQ (Found by InChIKey (skeleton match))
ChemSpider 2D Image | {(2R)-8-[(3R,4R,4aR)-4-Acetoxy-8,9-dihydroxy-4a-(hydroxymethyl)-3-methyl-1-oxo-2,3,4,4a-tetrahydro-1H-xanthen-7-yl]-5-hydroxy-2-[(2S,3S)-3-methyl-5-oxotetrahydro-2-furanyl]-4-oxo-3,4-dihydro-2H-chrome n-2-yl}methyl acetate | C34H34O14

{(2R)-8-[(3R,4R,4aR)-4-Acetoxy-8,9-dihydroxy-4a-(hydroxymethyl)-3-methyl-1-oxo-2,3,4,4a-tetrahydro-1H-xanthen-7-yl]-5-hydroxy-2-[(2S,3S)-3-methyl-5-oxotetrahydro-2-furanyl]-4-oxo-3,4-dihydro-2H-chrome n-2-yl}methyl acetate

  • Molecular FormulaC34H34O14
  • Average mass666.625 Da
  • Monoisotopic mass666.194885 Da
  • ChemSpider ID78437090

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

{(2R)-8-[(3R,4R,4aR)-4-Acetoxy-8,9-dihydroxy-4a-(hydroxymethyl)-3-methyl-1-oxo-2,3,4,4a-tetrahydro-1H-xanthen-7-yl]-5-hydroxy-2-[(2S,3S)-3-methyl-5-oxotetrahydro-2-furanyl]-4-oxo-3,4-dihydro-2H-chrome n-2-yl}methyl acetate [ACD/IUPAC Name]
{(2R)-8-[(3R,4R,4aR)-4-Acetoxy-8,9-dihydroxy-4a-(hydroxymethyl)-3-methyl-1-oxo-2,3,4,4a-tetrahydro-1H-xanthen-7-yl]-5-hydroxy-2-[(2S,3S)-3-methyl-5-oxotetrahydro-2-furanyl]-4-oxo-3,4-dihydro-2H-chrome n-2-yl}methyl-acetat [German] [ACD/IUPAC Name]
1H-Xanthen-1-one, 4-(acetyloxy)-7-[(2R)-2-[(acetyloxy)methyl]-3,4-dihydro-5-hydroxy-4-oxo-2-[(2S,3S)-tetrahydro-3-methyl-5-oxo-2-furanyl]-2H-1-benzopyran-8-yl]-2,3,4,4a-tetrahydro-8,9-dihydroxy-4a-(hy droxymethyl)-3-methyl-, (3R,4R,4aR)- [ACD/Index Name]
Acétate de {(2R)-8-[(3R,4R,4aR)-4-acétoxy-8,9-dihydroxy-4a-(hydroxyméthyl)-3-méthyl-1-oxo-2,3,4,4a-tétrahydro-1H-xanthén-7-yl]-5-hydroxy-2-[(2S,3S)-3-méthyl-5-oxotétrahydro-2-furanyl]-4-oxo-3,4-dihydr o-2H-chromén-2-yl}méthyle [French] [ACD/IUPAC Name]
phomolactonexanthone A

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

Density: 1.6±0.1 g/cm3
Boiling Point: 879.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 134.0±3.0 kJ/mol
Flash Point: 280.4±27.8 °C
Index of Refraction: 1.670
Molar Refractivity: 159.9±0.4 cm3
#H bond acceptors: 14
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 3.99
ACD/LogD (pH 5.5): 2.40
ACD/BCF (pH 5.5): 19.19
ACD/KOC (pH 5.5): 124.35
ACD/LogD (pH 7.4): 0.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 212 Å2
Polarizability: 63.4±0.5 10-24cm3
Surface Tension: 82.6±5.0 dyne/cm
Molar Volume: 428.1±5.0 cm3

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