Found 12 results

Search term: MF = 'C_{42}H_{54}O_{10}'
ChemSpider 2D Image | (3bS,3cS,4aR,5S,5aS,8aR,9R,10R)-5,5a-dihydroxy-4a-(hydroxymethyl)-8a,9-dimethyl-6-oxo-2-phenyl-10a-(propan-2-yl)dodecahydro-3bH-2,8b-epoxyoxireno[6,7]azuleno[5,4-e][1,3]benzodioxol-10-yl 9-phenylnonanoate | C42H54O10

(3bS,3cS,4aR,5S,5aS,8aR,9R,10R)-5,5a-dihydroxy-4a-(hydroxymethyl)-8a,9-dimethyl-6-oxo-2-phenyl-10a-(propan-2-yl)dodecahydro-3bH-2,8b-epoxyoxireno[6,7]azuleno[5,4-e][1,3]benzodioxol-10-yl 9-phenylnonanoate

  • Molecular FormulaC42H54O10
  • Average mass718.872 Da
  • Monoisotopic mass718.371704 Da
  • ChemSpider ID23178146

  • defined stereocentres - 8 of 12 defined stereocentres

More details:

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

(2R,6S,7S,8R,10S,11S,17R,18R)-6,7-Dihydroxy-8-(hydroxymethyl)-16-isopropyl-2,18-dimethyl-5-oxo-14-phenyl-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadec-17-yl 9-phenylnonan oate [ACD/IUPAC Name]
(2R,6S,7S,8R,10S,11S,17R,18R)-6,7-Dihydroxy-8-(hydroxymethyl)-16-isopropyl-2,18-dimethyl-5-oxo-14-phenyl-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadec-17-yl-9-phenylnonan oat [German] [ACD/IUPAC Name]
(3bS,3cS,4aR,5S,5aS,8aR,9R,10R)-5,5a-dihydroxy-4a-(hydroxymethyl)-8a,9-dimethyl-6-oxo-2-phenyl-10a-(propan-2-yl)dodecahydro-3bH-2,8b-epoxyoxireno[6,7]azuleno[5,4-e][1,3]benzodioxol-10-yl 9-phenylnonanoate
9-Phénylnonanoate de (2R,6S,7S,8R,10S,11S,17R,18R)-6,7-dihydroxy-8-(hydroxyméthyl)-16-isopropyl-2,18-diméthyl-5-oxo-14-phényl-9,13,15,19-tétraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadé c-17-yle [French] [ACD/IUPAC Name]
Benzenenonanoic acid, (3bS,3cS,4aR,5S,5aS,8aR,9R,10R)-dodecahydro-5,5a-dihydroxy-4a-(hydroxymethyl)-8a,9-dimethyl-10a-(1-methylethyl)-6-oxo-2-phenyl-6H-2,8b-epoxyoxireno[6,7]azuleno[5,4-e]-1,3-benzodi oxol-10-yl ester [ACD/Index Name]
benzenenonanoic acid, (3bS,3cS,4aR,5S,5aS,8aR,9R,10R)-dodecahydro-5,5a-dihydroxy-4a-(hydroxymethyl)-8a,9-dimethyl-10a-(1-methylethyl)-6-oxo-2-phenyl-6H-2,8b-epoxyoxireno[6,7]azuleno[5,4-e]-1,3-benzodioxol-10-yl ester
(2R,6S,7S,8R,10S,11S,17R,18R)-6,7-dihydroxy-8-(hydroxymethyl)-2,18-dimethyl-5-oxo-14-phenyl-16-(propan-2-yl)-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadecan-17-yl 9-phenylnonanoate

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.621
Molar Refractivity: 191.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 10.19
ACD/LogD (pH 5.5): 8.29
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 770802.06
ACD/LogD (pH 7.4): 8.29
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 770765.69
Polar Surface Area: 144 Å2
Polarizability: 75.9±0.5 10-24cm3
Surface Tension: 62.2±5.0 dyne/cm
Molar Volume: 544.4±5.0 cm3

Click to predict properties on the Chemicalize site


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