Found 1 result

Search term: LEZWYXVEIYCMRT (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1alpha,3beta,5beta,6beta,7beta,9beta,10alpha,11beta,15beta)-3,6-Dihydroxy-6,18-cyclokaur-16-ene-1,7,11,15-tetrayl tetraacetate | C28H38O10

(1α,3β,5β,6β,7β,9β,10α,11β,15β)-3,6-Dihydroxy-6,18-cyclokaur-16-ene-1,7,11,15-tetrayl tetraacetate

  • Molecular FormulaC28H38O10
  • Average mass534.595 Da
  • Monoisotopic mass534.246521 Da
  • ChemSpider ID24713806

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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(1α,3β,5β,6β,7β,9β,10α,11β,15β)-3,6-Dihydroxy-6,18-cyclokaur-16-en-1,7,11,15-tetrayl-tetraacetat [German] [ACD/IUPAC Name]
(1α,3β,5β,6β,7β,9β,10α,11β,15β)-3,6-Dihydroxy-6,18-cyclokaur-16-ene-1,7,11,15-tetrayl tetraacetate [ACD/IUPAC Name]
Tetraacétate de (1α,3β,5β,6β,7β,9β,10α,11β,15β)-3,6-dihydroxy-6,18-cyclokaur-16-ène-1,7,11,15-tétrayle [French] [ACD/IUPAC Name]
NERVONIN A

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

Density: 1.3±0.1 g/cm3
Boiling Point: 590.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.2±6.0 kJ/mol
Flash Point: 186.4±23.6 °C
Index of Refraction: 1.570
Molar Refractivity: 131.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 1.24
ACD/LogD (pH 5.5): 1.62
ACD/BCF (pH 5.5): 10.09
ACD/KOC (pH 5.5): 182.01
ACD/LogD (pH 7.4): 1.62
ACD/BCF (pH 7.4): 10.09
ACD/KOC (pH 7.4): 182.01
Polar Surface Area: 146 Å2
Polarizability: 52.1±0.5 10-24cm3
Surface Tension: 55.8±5.0 dyne/cm
Molar Volume: 400.5±5.0 cm3

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