ChemSpider 2D Image | (1S,2R,5R,6R,10R,13S,15S)-6,10-Dimethyl-5-[(2R,3E)-5-methyl-3-hexen-2-yl]-16,17-dioxapentacyclo[13.2.2.0~1,9~.0~2,6~.0~10,15~]nonadeca-8,18-dien-13-ol | C26H38O3

(1S,2R,5R,6R,10R,13S,15S)-6,10-Dimethyl-5-[(2R,3E)-5-methyl-3-hexen-2-yl]-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-8,18-dien-13-ol

  • Molecular FormulaC26H38O3
  • Average mass398.578 Da
  • Monoisotopic mass398.282104 Da
  • ChemSpider ID40256705

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1S,2R,5R,6R,10R,13S,15S)-6,10-Dimethyl-5-[(2R,3E)-5-methyl-3-hexen-2-yl]-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-8,18-dien-13-ol [German] [ACD/IUPAC Name]
(1S,2R,5R,6R,10R,13S,15S)-6,10-Dimethyl-5-[(2R,3E)-5-methyl-3-hexen-2-yl]-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-8,18-dien-13-ol [ACD/IUPAC Name]
(1S,2R,5R,6R,10R,13S,15S)-6,10-Diméthyl-5-[(2R,3E)-5-méthyl-3-hexén-2-yl]-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadéca-8,18-dién-13-ol [French] [ACD/IUPAC Name]
3b,5a-Etheno-1H-benz[c]indeno[5,4-e][1,2]dioxin-7-ol, 1-[(1R,2E)-1,4-dimethyl-2-penten-1-yl]-2,3,3a,6,7,8,9,9a,11,11a-decahydro-9a,11a-dimethyl-, (1R,3aR,3bS,5aS,7S,9aR,11aR)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 492.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 87.5±6.0 kJ/mol
Flash Point: 251.7±28.7 °C
Index of Refraction: 1.572
Molar Refractivity: 116.7±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 6.62
ACD/LogD (pH 5.5): 6.51
ACD/BCF (pH 5.5): 52176.33
ACD/KOC (pH 5.5): 82860.92
ACD/LogD (pH 7.4): 6.51
ACD/BCF (pH 7.4): 52176.33
ACD/KOC (pH 7.4): 82860.92
Polar Surface Area: 39 Å2
Polarizability: 46.3±0.5 10-24cm3
Surface Tension: 44.4±5.0 dyne/cm
Molar Volume: 354.8±5.0 cm3

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