Found 1 result

Search term: VBYFVFMZJVTSHX (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 3-Hydroxy-5-{[(4aS,6aS,6bR,10aS,11aR,11bS)-6b-hydroxy-4,4,6a,11b-tetramethyl-9,10-dioxo-2,3,4,4a,5,6,6a,6b,9,10,10a,11,11a,11b-tetradecahydro-1H-benzo[a]fluoren-8-yl]methoxy}-3-methyl-5-oxopentanoic a cid | C28H40O8

3-Hydroxy-5-{[(4aS,6aS,6bR,10aS,11aR,11bS)-6b-hydroxy-4,4,6a,11b-tetramethyl-9,10-dioxo-2,3,4,4a,5,6,6a,6b,9,10,10a,11,11a,11b-tetradecahydro-1H-benzo[a]fluoren-8-yl]methoxy}-3-methyl-5-oxopentanoic a cid

  • Molecular FormulaC28H40O8
  • Average mass504.612 Da
  • Monoisotopic mass504.272308 Da
  • ChemSpider ID9737232

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

3-Hydroxy-5-{[(4aS,6aS,6bR,10aS,11aR,11bS)-6b-hydroxy-4,4,6a,11b-tetramethyl-9,10-dioxo-2,3,4,4a,5,6,6a,6b,9,10,10a,11,11a,11b-tetradecahydro-1H-benzo[a]fluoren-8-yl]methoxy}-3-methyl-5-oxopentanoic a cid [ACD/IUPAC Name]
3-Hydroxy-5-{[(4aS,6aS,6bR,10aS,11aR,11bS)-6b-hydroxy-4,4,6a,11b-tetramethyl-9,10-dioxo-2,3,4,4a,5,6,6a,6b,9,10,10a,11,11a,11b-tetradecahydro-1H-benzo[a]fluoren-8-yl]methoxy}-3-methyl-5-oxopentansäure [German] [ACD/IUPAC Name]
Acide 3-hydroxy-5-{[(4aS,6aS,6bR,10aS,11aR,11bS)-6b-hydroxy-4,4,6a,11b-tétraméthyl-9,10-dioxo-2,3,4,4a,5,6,6a,6b,9,10,10a,11,11a,11b-tétradécahydro-1H-benzo[a]fluorén-8-yl]méthoxy}-3-méthyl-5-oxopenta noïque [French] [ACD/IUPAC Name]
Pentanedioic acid, 3-hydroxy-3-methyl-, mono[[(4aS,6aS,6bR,10aS,11aR,11bS)-2,3,4,4a,5,6,6a,6b,9,10,10a,11,11a,11b-tetradecahydro-6b-hydroxy-4,4,6a,11b-tetramethyl-9,10-dioxo-1H-benzo[a]fluoren-8-yl]me thyl] ester [ACD/Index Name]
dasyscyphin C

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

Density: 1.2±0.1 g/cm3
Boiling Point: 665.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 112.0±6.0 kJ/mol
Flash Point: 215.3±25.0 °C
Index of Refraction: 1.555
Molar Refractivity: 129.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.60
ACD/LogD (pH 5.5): 1.91
ACD/BCF (pH 5.5): 7.72
ACD/KOC (pH 5.5): 60.13
ACD/LogD (pH 7.4): 0.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.05
Polar Surface Area: 138 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 51.9±3.0 dyne/cm
Molar Volume: 404.3±3.0 cm3

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