ChemSpider 2D Image | (4R,5R,6R,9R,10R)-6-[(1E,3R,5R)-3,5-Dimethyl-1-hepten-1-yl]-4,9,10-trihydroxy-3-methylene-2-oxaspiro[4.5]dec-7-en-1-one | C19H28O5

(4R,5R,6R,9R,10R)-6-[(1E,3R,5R)-3,5-Dimethyl-1-hepten-1-yl]-4,9,10-trihydroxy-3-methylene-2-oxaspiro[4.5]dec-7-en-1-one

  • Molecular FormulaC19H28O5
  • Average mass336.423 Da
  • Monoisotopic mass336.193665 Da
  • ChemSpider ID23329385

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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(4R,5R,6R,9R,10R)-6-[(1E,3R,5R)-3,5-Dimethyl-1-hepten-1-yl]-4,9,10-trihydroxy-3-methylen-2-oxaspiro[4.5]dec-7-en-1-on [German] [ACD/IUPAC Name]
(4R,5R,6R,9R,10R)-6-[(1E,3R,5R)-3,5-Dimethyl-1-hepten-1-yl]-4,9,10-trihydroxy-3-methylene-2-oxaspiro[4.5]dec-7-en-1-one [ACD/IUPAC Name]
(4R,5R,6R,9R,10R)-6-[(1E,3R,5R)-3,5-Diméthyl-1-heptén-1-yl]-4,9,10-trihydroxy-3-méthylène-2-oxaspiro[4.5]déc-7-én-1-one [French] [ACD/IUPAC Name]
2-Oxaspiro[4.5]dec-7-en-1-one, 6-[(1E,3R,5R)-3,5-dimethyl-1-hepten-1-yl]-4,9,10-trihydroxy-3-methylene-, (4R,5R,6R,9R,10R)- [ACD/Index Name]
(4R,5R,6R,9R,10R)-6-[(1E,3R,5R)-3,5-dimethylhept-1-en-1-yl]-4,9,10-trihydroxy-3-methylidene-2-oxaspiro[4.5]dec-7-en-1-one
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL486248/
spirolephtoshol
spiroleptosphol

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

Density: 1.2±0.1 g/cm3
Boiling Point: 510.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 90.0±6.0 kJ/mol
Flash Point: 178.2±23.6 °C
Index of Refraction: 1.557
Molar Refractivity: 91.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.46
ACD/LogD (pH 5.5): 2.81
ACD/BCF (pH 5.5): 80.56
ACD/KOC (pH 5.5): 805.38
ACD/LogD (pH 7.4): 2.81
ACD/BCF (pH 7.4): 80.56
ACD/KOC (pH 7.4): 805.37
Polar Surface Area: 87 Å2
Polarizability: 36.3±0.5 10-24cm3
Surface Tension: 49.0±5.0 dyne/cm
Molar Volume: 284.8±5.0 cm3

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