ChemSpider 2D Image | (3aS,4R,5E,9S,10Z,11aS)-4,9-Dihydroxy-6,10-dimethyl-3-methylene-3a,4,7,8,9,11a-hexahydrocyclodeca[b]furan-2(3H)-one | C15H20O4


  • Molecular FormulaC15H20O4
  • Average mass264.317 Da
  • Monoisotopic mass264.136169 Da
  • ChemSpider ID29368176
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3aS,4R,5E,9S,10Z,11aS)-4,9-Dihydroxy-6,10-dimethyl-3-methylen-3a,4,7,8,9,11a-hexahydrocyclodeca[b]furan-2(3H)-on [German] [ACD/IUPAC Name]
(3aS,4R,5E,9S,10Z,11aS)-4,9-Dihydroxy-6,10-dimethyl-3-methylene-3a,4,7,8,9,11a-hexahydrocyclodeca[b]furan-2(3H)-one [ACD/IUPAC Name]
(3aS,4R,5E,9S,10Z,11aS)-4,9-Dihydroxy-6,10-diméthyl-3-méthylène-3a,4,7,8,9,11a-hexahydrocyclodéca[b]furan-2(3H)-one [French] [ACD/IUPAC Name]
Cyclodeca[b]furan-2(3H)-one, 3a,4,7,8,9,11a-hexahydro-4,9-dihydroxy-6,10-dimethyl-3-methylene-, (3aS,4R,5E,9S,10Z,11aS)- [ACD/Index Name]
41653-75-2 [RN]
tatridin A
  • Miscellaneous
    • Chemical Class:

      A germacrane sesquiterpenoid in which the 10-membered ring contains one <stereo>E</stereo>- and one <stereo>Z</stereo>- double bond and is fused to a 3-methylenedihydrofuran-2(3<element>H</element>)-o ne moiety. It has been isolated from <ital>Artemesia arbuscala</ital>, <ital>Anthemis altissima</ital> and <ital>Tanacetum vulgare</ital>. ChEBI CHEBI:74108

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 496.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 88.0±6.0 kJ/mol
Flash Point: 187.0±22.2 °C
Index of Refraction: 1.558
Molar Refractivity: 71.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.22
ACD/LogD (pH 5.5): 1.60
ACD/BCF (pH 5.5): 9.72
ACD/KOC (pH 5.5): 177.24
ACD/LogD (pH 7.4): 1.60
ACD/BCF (pH 7.4): 9.72
ACD/KOC (pH 7.4): 177.24
Polar Surface Area: 67 Å2
Polarizability: 28.2±0.5 10-24cm3
Surface Tension: 46.6±5.0 dyne/cm
Molar Volume: 220.6±5.0 cm3

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