ChemSpider 2D Image | Rubicordifolin | C33H28O9

Rubicordifolin

  • Molecular FormulaC33H28O9
  • Average mass568.570 Da
  • Monoisotopic mass568.173340 Da
  • ChemSpider ID9961073

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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5-Hydroxy-2-[(2R,3aR,4R)-7-hydroxy-4-(2-hydroxy-2-propanyl)-2-méthyl-6-oxo-2,3,3a,6-tétrahydro-4H-benzo[h]pyrano[3,4,5-de]chromén-2-yl]naphto[1,2-b]furane-4-carboxylate de méthyle [French] [ACD/IUPAC Name]
849699-55-4 [RN]
Methyl 5-hydroxy-2-[(2R,3aR,4R)-7-hydroxy-4-(2-hydroxy-2-propanyl)-2-methyl-6-oxo-2,3,3a,6-tetrahydro-4H-benzo[h]pyrano[3,4,5-de]chromen-2-yl]naphtho[1,2-b]furan-4-carboxylate [ACD/IUPAC Name]
Methyl-5-hydroxy-2-[(2R,3aR,4R)-7-hydroxy-4-(2-hydroxy-2-propanyl)-2-methyl-6-oxo-2,3,3a,6-tetrahydro-4H-benzo[h]pyrano[3,4,5-de]chromen-2-yl]naphtho[1,2-b]furan-4-carboxylat [German] [ACD/IUPAC Name]
Naphtho[1,2-b]furan-4-carboxylic acid, 5-hydroxy-2-[(2R,3aR,4R)-2,3,3a,6-tetrahydro-7-hydroxy-4-(1-hydroxy-1-methylethyl)-2-methyl-6-oxo-4H-benzo[g]pyrano[4,3,2-de][2]benzopyran-2-yl]-, methyl ester [ACD/Index Name]
Naphtho[1,2-b]furan-4-carboxylic acid, 5-hydroxy-2-[(2R,3aR,4R)-2,3,3a,6-tetrahydro-7-hydroxy-4-(1-hydroxy-1-methylethyl)-2-methyl-6-oxo-4H-benzo[h]pyrano[3,4,5-de]-1-benzopyran-2-yl]-, methyl ester, rel-
Rubicordifolin [Wiki]
methyl 5-hydroxy-2-[(12R,13R,15R)-8-hydroxy-12-(2-hydroxypropan-2-yl)-15-methyl-10-oxo-11,16-dioxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8-pentaen-15-yl]benzo[g][1]benzofuran-4-carboxylate
MFCD28100701

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

Density: 1.4±0.1 g/cm3
Boiling Point: 795.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 121.4±3.0 kJ/mol
Flash Point: 435.0±32.9 °C
Index of Refraction: 1.709
Molar Refractivity: 154.7±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 6.52
ACD/LogD (pH 5.5): 6.75
ACD/BCF (pH 5.5): 79658.00
ACD/KOC (pH 5.5): 112119.88
ACD/LogD (pH 7.4): 6.70
ACD/BCF (pH 7.4): 70586.32
ACD/KOC (pH 7.4): 99351.35
Polar Surface Area: 136 Å2
Polarizability: 61.3±0.5 10-24cm3
Surface Tension: 66.4±3.0 dyne/cm
Molar Volume: 396.3±3.0 cm3

Click to predict properties on the Chemicalize site


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