ChemSpider 2D Image | berkeleyone A | C26H38O6

berkeleyone A

  • Molecular FormulaC26H38O6
  • Average mass446.576 Da
  • Monoisotopic mass446.266846 Da
  • ChemSpider ID28485232

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1R,2S,5S,7R,10S,11S,13R,15S)-7,15-Dihydroxy-2,6,6,10,13,15-hexaméthyl-17-méthylène-14,16-dioxotétracyclo[11.3.1.02,11.05,10]heptadécane-1-carboxylate de méthyle [French] [ACD/IUPAC Name]
7,11-Methanocycloocta[a]naphthalene-7(2H)-carboxylic acid, tetradecahydro-3,9-dihydroxy-4,4,6a,9,11,12b-hexamethyl-13-methylene-8,10-dioxo-, methyl ester, (3R,4aS,6aS,7R,9S,11R,12aS,12bS)- [ACD/Index Name]
berkeleyone A
Methyl (1R,2S,5S,7R,10S,11S,13R,15S)-7,15-dihydroxy-2,6,6,10,13,15-hexamethyl-17-methylene-14,16-dioxotetracyclo[11.3.1.02,11.05,10]heptadecane-1-carboxylate [ACD/IUPAC Name]
Methyl-(1R,2S,5S,7R,10S,11S,13R,15S)-7,15-dihydroxy-2,6,6,10,13,15-hexamethyl-17-methylen-14,16-dioxotetracyclo[11.3.1.02,11.05,10]heptadecan-1-carboxylat [German] [ACD/IUPAC Name]
rel-methyl (3R,4aS,6aS,7R,9S,11R,12aS,12bS)-3,9-dihydroxy-4,4,6a,9,11,12b-hexamethyl-13-methylidene-8,10-dioxotetradecahydro-7,11-methanocycloocta[a]naphthalene-7(2H)-carboxylate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 551.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 95.6±6.0 kJ/mol
Flash Point: 177.5±23.6 °C
Index of Refraction: 1.556
Molar Refractivity: 118.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.72
ACD/LogD (pH 5.5): 4.61
ACD/BCF (pH 5.5): 1885.94
ACD/KOC (pH 5.5): 7695.15
ACD/LogD (pH 7.4): 4.61
ACD/BCF (pH 7.4): 1883.51
ACD/KOC (pH 7.4): 7685.26
Polar Surface Area: 101 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 49.2±5.0 dyne/cm
Molar Volume: 370.2±5.0 cm3

Click to predict properties on the Chemicalize site


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