ChemSpider 2D Image | (1R,1'S,2S,6R,6'S,7'S,9'S)-7'-Hydroxy-6-(hydroxymethyl)-5,5-dimethyl-10'-methylene-2',11'-dioxo-3'-oxaspiro[cyclohexane-1,5'-tricyclo[7.2.1.0~1,6~]dodecan]-2-yl acetate | C22H30O7

(1R,1'S,2S,6R,6'S,7'S,9'S)-7'-Hydroxy-6-(hydroxymethyl)-5,5-dimethyl-10'-methylene-2',11'-dioxo-3'-oxaspiro[cyclohexane-1,5'-tricyclo[7.2.1.01,6]dodecan]-2-yl acetate

  • Molecular FormulaC22H30O7
  • Average mass406.469 Da
  • Monoisotopic mass406.199158 Da
  • ChemSpider ID57257072

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1R,1'S,2S,6R,6'S,7'S,9'S)-7'-Hydroxy-6-(hydroxymethyl)-5,5-dimethyl-10'-methylene-2',11'-dioxo-3'-oxaspiro[cyclohexane-1,5'-tricyclo[7.2.1.01,6]dodecan]-2-yl acetate [ACD/IUPAC Name]
[(1S,1'S,3'R,5R,6S,7S,9S)-7-hydroxy-3'-(hydroxymethyl)-4',4'-dimethyl-10-methylidene-2,11-dioxospiro[3-oxatricyclo[7.2.1.01,6]dodecane-5,2'-cyclohexane]-1'-yl] acetate
675603-39-1 [RN]
Isodonoiol
Maoyecrystal E

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

Density: 1.3±0.1 g/cm3
Boiling Point: 615.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 104.7±6.0 kJ/mol
Flash Point: 213.2±25.0 °C
Index of Refraction: 1.569
Molar Refractivity: 102.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.54
ACD/LogD (pH 5.5): 1.53
ACD/BCF (pH 5.5): 8.60
ACD/KOC (pH 5.5): 162.45
ACD/LogD (pH 7.4): 1.53
ACD/BCF (pH 7.4): 8.60
ACD/KOC (pH 7.4): 162.45
Polar Surface Area: 110 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 54.7±5.0 dyne/cm
Molar Volume: 311.7±5.0 cm3

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