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Search term: MF = 'C_{29}H_{34}O_{9}'
ChemSpider 2D Image | naphthablin C | C29H34O9

naphthablin C

  • Molecular FormulaC29H34O9
  • Average mass526.575 Da
  • Monoisotopic mass526.220276 Da
  • ChemSpider ID61708491

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(2S,3R,4aR,7bS,10S,10aS,14aS)-7,10-Dihydroxy-3,7b,14,14-tetramethyl-5,12-dioxo-2,3,4,4a,5,7b,8,10,10a,12,14,14a-dodecahydro-1H-benzo[c]furo[3',4':2,3][1]benzofuro[6,7-g]chromen-2-yl 2-methylpropanoate [ACD/IUPAC Name]
(2S,3R,4aR,7bS,10S,10aS,14aS)-7,10-Dihydroxy-3,7b,14,14-tetramethyl-5,12-dioxo-2,3,4,4a,5,7b,8,10,10a,12,14,14a-dodecahydro-1H-benzo[c]furo[3',4':2,3][1]benzofuro[6,7-g]chromen-2-yl-2-methylpropanoat [German] [ACD/IUPAC Name]
2-Méthylpropanoate de (2S,3R,4aR,7bS,10S,10aS,14aS)-7,10-dihydroxy-3,7b,14,14-tétraméthyl-5,12-dioxo-2,3,4,4a,5,7b,8,10,10a,12,14,14a-dodécahydro-1H-benzo[c]furo[3',4':2,3][1]benzofuro[6,7-g]chromén-2 -yle [French] [ACD/IUPAC Name]
naphthablin C
Propanoic acid, 2-methyl-, (2S,3R,4aR,7bS,10S,10aS,14aS)-2,3,4,4a,5,7b,8,10,10a,12,14,14a-dodecahydro-7,10-dihydroxy-3,7b,14,14-tetramethyl-5,12-dioxo-1H-furo[3'',4'':4',5']furo[3',2':7,8]naphtho[2,3- c][2]benzopyran-2-yl ester [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 712.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.3±3.0 kJ/mol
Flash Point: 234.8±26.4 °C
Index of Refraction: 1.623
Molar Refractivity: 132.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 3.13
ACD/LogD (pH 5.5): 3.60
ACD/BCF (pH 5.5): 310.19
ACD/KOC (pH 5.5): 2035.03
ACD/LogD (pH 7.4): 2.57
ACD/BCF (pH 7.4): 28.84
ACD/KOC (pH 7.4): 189.18
Polar Surface Area: 129 Å2
Polarizability: 52.6±0.5 10-24cm3
Surface Tension: 63.0±5.0 dyne/cm
Molar Volume: 376.3±5.0 cm3

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