Found 3 results

Search term: OZILXJUBBKPMRE (Found by InChIKey (skeleton match))
ChemSpider 2D Image | cyclotetradeca[b]furan-2(3H)-one, 3a,4,5,6,7,8,11,12,15,15a-decahydro-5,6,15-trihydroxy-6-(hydroxymethyl)-10,14-dimethyl-3-methylene-, (3aR,5S,6S,9Z,13Z,15S,15aR)- | C20H30O6

cyclotetradeca[b]furan-2(3H)-one, 3a,4,5,6,7,8,11,12,15,15a-decahydro-5,6,15-trihydroxy-6-(hydroxymethyl)-10,14-dimethyl-3-methylene-, (3aR,5S,6S,9Z,13Z,15S,15aR)-

  • Molecular FormulaC20H30O6
  • Average mass366.449 Da
  • Monoisotopic mass366.204254 Da
  • ChemSpider ID21431299

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

cyclotetradeca[b]furan-2(3H)-one, 3a,4,5,6,7,8,11,12,15,15a-decahydro-5,6,15-trihydroxy-6-(hydroxymethyl)-10,14-dimethyl-3-methylene-, (3aR,5S,6S,9Z,13Z,15S,15aR)-
sinularolide A

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

Density: 1.2±0.1 g/cm3
Boiling Point: 592.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.4±6.0 kJ/mol
Flash Point: 206.8±23.6 °C
Index of Refraction: 1.570
Molar Refractivity: 97.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.55
ACD/LogD (pH 5.5): 1.93
ACD/BCF (pH 5.5): 17.28
ACD/KOC (pH 5.5): 267.58
ACD/LogD (pH 7.4): 1.93
ACD/BCF (pH 7.4): 17.28
ACD/KOC (pH 7.4): 267.58
Polar Surface Area: 107 Å2
Polarizability: 38.6±0.5 10-24cm3
Surface Tension: 54.7±5.0 dyne/cm
Molar Volume: 296.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement