ChemSpider 2D Image | (3aR,4R,6E,9S,10E,13R,14R,15S,15aS)-14,15-Dihydroxy-6,10,14-trimethyl-3-methylene-2-oxo-2,3,3a,4,5,8,9,12,13,14,15,15a-dodecahydrocyclotetradeca[b]furan-4,9,13-triyl triacetate | C26H36O10

(3aR,4R,6E,9S,10E,13R,14R,15S,15aS)-14,15-Dihydroxy-6,10,14-trimethyl-3-methylene-2-oxo-2,3,3a,4,5,8,9,12,13,14,15,15a-dodecahydrocyclotetradeca[b]furan-4,9,13-triyl triacetate

  • Molecular FormulaC26H36O10
  • Average mass508.558 Da
  • Monoisotopic mass508.230835 Da
  • ChemSpider ID17627227

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(3aR,4R,6E,9S,10E,13R,14R,15S,15aS)-14,15-Dihydroxy-6,10,14-trimethyl-3-methylen-2-oxo-2,3,3a,4,5,8,9,12,13,14,15,15a-dodecahydrocyclotetradeca[b]furan-4,9,13-triyl-triacetat [German] [ACD/IUPAC Name]
(3aR,4R,6E,9S,10E,13R,14R,15S,15aS)-14,15-Dihydroxy-6,10,14-trimethyl-3-methylene-2-oxo-2,3,3a,4,5,8,9,12,13,14,15,15a-dodecahydrocyclotetradeca[b]furan-4,9,13-triyl triacetate [ACD/IUPAC Name]
Cyclotetradeca[b]furan-2(3H)-one, 4,9,13-tris(acetyloxy)-3a,4,5,8,9,12,13,14,15,15a-decahydro-14,15-dihydroxy-6,10,14-trimethyl-3-methylene-, (3aR,4R,6E,9S,10E,13R,14R,15S,15aS)- [ACD/Index Name]
Triacétate de (3aR,4R,6E,9S,10E,13R,14R,15S,15aS)-14,15-dihydroxy-6,10,14-triméthyl-3-méthylène-2-oxo-2,3,3a,4,5,8,9,12,13,14,15,15a-dodécahydrocyclotétradéca[b]furane-4,9,13-triyle [French] [ACD/IUPAC Name]
(3aR,4R,6E,9S,10E,13R,14R,15S,15aS)-14,15-dihydroxy-6,10,14-trimethyl-3-methylidene-2-oxo-2,3,3a,4,5,8,9,12,13,14,15,15a-dodecahydrocyclotetradeca[b]furan-4,9,13-triyl triacetate
michaolide I
  • Miscellaneous

    • Chemical Class:

      A cembrane diterpenoid with cytotoxic activity isolated from the soft coral <ital>Lobophytum michaelae</ital>. ChEBI CHEBI:66382
      A cembrane diterpenoid with cytotoxic activity isolated from the soft coral Lobophytum michaelae. ChEBI CHEBI:66382

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

Density: 1.2±0.1 g/cm3
Boiling Point: 613.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 104.4±6.0 kJ/mol
Flash Point: 196.1±25.0 °C
Index of Refraction: 1.537
Molar Refractivity: 127.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 2.57
ACD/LogD (pH 5.5): 2.55
ACD/BCF (pH 5.5): 50.88
ACD/KOC (pH 5.5): 579.68
ACD/LogD (pH 7.4): 2.55
ACD/BCF (pH 7.4): 50.88
ACD/KOC (pH 7.4): 579.68
Polar Surface Area: 146 Å2
Polarizability: 50.6±0.5 10-24cm3
Surface Tension: 49.9±5.0 dyne/cm
Molar Volume: 408.6±5.0 cm3

Click to predict properties on the Chemicalize site


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