ChemSpider 2D Image | 6,7-Dihydroxy-16-isopropenyl-4,8,18-trimethyl-5-oxo-14-phenyl-9,13,15,19-tetraoxahexacyclo[12.4.1.0~1,11~.0~2,6~.0~8,10~.0~12,16~]nonadec-3-en-17-yl benzoate | C34H34O9

6,7-Dihydroxy-16-isopropenyl-4,8,18-trimethyl-5-oxo-14-phenyl-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadec-3-en-17-yl benzoate

  • Molecular FormulaC34H34O9
  • Average mass586.628 Da
  • Monoisotopic mass586.220276 Da
  • ChemSpider ID25048590

  • defined stereocentres - 11 of 12 defined stereocentres

More details:

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

6,7-Dihydroxy-16-isopropenyl-4,8,18-trimethyl-5-oxo-14-phenyl-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadec-3-en-17-yl benzoate [ACD/IUPAC Name]
6,7-Dihydroxy-16-isopropenyl-4,8,18-trimethyl-5-oxo-14-phenyl-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadec-3-en-17-yl-benzoat [German] [ACD/IUPAC Name]
6H-2,8b-Epoxyoxireno[6,7]azuleno[5,4-e]-1,3-benzodioxol-6-one, 10-(benzoyloxy)-3a,3b,3c,4a,5,5a,8a,9,10,10a-decahydro-5,5a-dihydroxy-4a,7,9-trimethyl-10a-(1-methylethenyl)-2-phenyl- [ACD/Index Name]
Benzoate de 6,7-dihydroxy-16-isopropényl-4,8,18-triméthyl-5-oxo-14-phényl-9,13,15,19-tétraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadéc-3-én-17-yle [French] [ACD/IUPAC Name]
TRIGOXYPHIN A

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.671
Molar Refractivity: 152.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 8.11
ACD/LogD (pH 5.5): 6.80
ACD/BCF (pH 5.5): 86973.09
ACD/KOC (pH 5.5): 119451.30
ACD/LogD (pH 7.4): 6.80
ACD/BCF (pH 7.4): 86957.63
ACD/KOC (pH 7.4): 119430.05
Polar Surface Area: 124 Å2
Polarizability: 60.3±0.5 10-24cm3
Surface Tension: 67.0±5.0 dyne/cm
Molar Volume: 407.1±5.0 cm3

Click to predict properties on the Chemicalize site


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