Found 7 results

Search term: XLJORQYAOTYVQS (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1S,6bR,9S,9aS,11S,11bR)-9-Hydroxy-1-(methoxymethyl)-9a,11b-dimethyl-3,6-dioxo-1,6,6b,7,8,9,9a,10,11,11b-decahydro-3H-furo[4,3,2-de]indeno[4,5-h]isochromen-11-yl acetate | C23H26O8

(1S,6bR,9S,9aS,11S,11bR)-9-Hydroxy-1-(methoxymethyl)-9a,11b-dimethyl-3,6-dioxo-1,6,6b,7,8,9,9a,10,11,11b-decahydro-3H-furo[4,3,2-de]indeno[4,5-h]isochromen-11-yl acetate

  • Molecular FormulaC23H26O8
  • Average mass430.448 Da
  • Monoisotopic mass430.162781 Da
  • ChemSpider ID58131905

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1S,6bR,9S,9aS,11S,11bR)-9-Hydroxy-1-(methoxymethyl)-9a,11b-dimethyl-3,6-dioxo-1,6,6b,7,8,9,9a,10,11,11b-decahydro-3H-furo[4,3,2-de]indeno[4,5-h]isochromen-11-yl acetate [ACD/IUPAC Name]
(1S,6bR,9S,9aS,11S,11bR)-9-Hydroxy-1-(methoxymethyl)-9a,11b-dimethyl-3,6-dioxo-1,6,6b,7,8,9,9a,10,11,11b-decahydro-3H-furo[4,3,2-de]indeno[4,5-h]isochromen-11-yl-acetat [German] [ACD/IUPAC Name]
3H-Furo[4,3,2-de]indeno[4,5-h]-2-benzopyran-3,6(1H)-dione, 11-(acetyloxy)-6b,7,8,9,9a,10,11,11b-octahydro-9-hydroxy-1-(methoxymethyl)-9a,11b-dimethyl-, (1S,6bR,9S,9aS,11S,11bR)- [ACD/Index Name]
Acétate de (1S,6bR,9S,9aS,11S,11bR)-9-hydroxy-1-(méthoxyméthyl)-9a,11b-diméthyl-3,6-dioxo-1,6,6b,7,8,9,9a,10,11,11b-décahydro-3H-furo[4,3,2-de]indéno[4,5-h]isochromén-11-yle [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL3348927/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 615.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.0±3.0 kJ/mol
Flash Point: 326.0±31.5 °C
Index of Refraction: 1.598
Molar Refractivity: 105.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.76
ACD/LogD (pH 5.5): 1.73
ACD/BCF (pH 5.5): 12.19
ACD/KOC (pH 5.5): 208.47
ACD/LogD (pH 7.4): 1.73
ACD/BCF (pH 7.4): 12.19
ACD/KOC (pH 7.4): 208.47
Polar Surface Area: 112 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 59.0±5.0 dyne/cm
Molar Volume: 309.1±5.0 cm3

Click to predict properties on the Chemicalize site


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