ChemSpider 2D Image | Bullatantriol | C15H28O3

Bullatantriol

  • Molecular FormulaC15H28O3
  • Average mass256.381 Da
  • Monoisotopic mass256.203857 Da
  • ChemSpider ID28424470

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1R,3aR,4R,7S,7aR)-1-(2-Hydroxy-2-methylpropyl)-3a,7-dimethyloctahydro-1H-inden-4,7-diol [German] [ACD/IUPAC Name]
(1R,3aR,4R,7S,7aR)-1-(2-Hydroxy-2-methylpropyl)-3a,7-dimethyloctahydro-1H-indene-4,7-diol [ACD/IUPAC Name]
(1R,3aR,4R,7S,7aR)-1-(2-Hydroxy-2-méthylpropyl)-3a,7-diméthyloctahydro-1H-indène-4,7-diol [French] [ACD/IUPAC Name]
1H-Indene-4,7-diol, octahydro-1-(2-hydroxy-2-methylpropyl)-3a,7-dimethyl-, (1R,3aR,4R,7S,7aR)- [ACD/Index Name]
99933-32-1 [RN]
Bullatantriol
(+)-Bullatantriol
(1R,3aR,4R,7S,7aR)-1-(2-hydroxy-2-methylpropyl)-3a,7-dimethyl-hexahydro-1H-indene-4,7-diol
(1R,3aR,4R,7S,7aR)-1-(2-hydroxy-2-methylpropyl)-3a,7-dimethyl-octahydro-1H-indene-4,7-diol
[99933-32-1] [RN]
More...
  • Miscellaneous

    • Chemical Class:

      A sesqiterpenoid that is octahydro-1<element>H</element>-indene which is substituted by a 2-hydroxy-2-methylpropyl group at position 1, methyl groups at positions 3a and 7, and hydroxy groups at posit ions 4 and 7 (the 1<stereo>R</stereo>,3a<stereo>R</stereo>,4<stereo>R</stereo>,7<stereo>S</stereo>,7a<stereo>R</stereo> stereoisomer). It has been isolated from various <ital>Homalomena</ital> species . ChEBI CHEBI:132904
      A sesqiterpenoid that is octahydro-1H-indene which is substituted by a 2-hydroxy-2-methylpropyl group at position 1, methyl groups at positions 3a and 7, and hydroxy groups at posit; ions 4 and 7 (the 1R,3aR,4R,7S,7aR stereoisomer). It has been isolated from various Homalomena species; . ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:132904
      A sesqiterpenoid that is octahydro-1H-indene which is substituted by a 2-hydroxy-2-methylpropyl group at position 1, methyl groups at positions 3a and 7, and hydroxy groups at positions 4 and 7 (the 1 R,3aR,4R,7S,7aR stereoisomer). It has been isolated from various Homalomena species. ChEBI CHEBI:132904

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

Density: 1.1±0.1 g/cm3
Boiling Point: 379.3±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 72.6±6.0 kJ/mol
Flash Point: 172.6±18.3 °C
Index of Refraction: 1.523
Molar Refractivity: 72.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.63
ACD/LogD (pH 5.5): 2.04
ACD/BCF (pH 5.5): 20.83
ACD/KOC (pH 5.5): 305.91
ACD/LogD (pH 7.4): 2.04
ACD/BCF (pH 7.4): 20.83
ACD/KOC (pH 7.4): 305.91
Polar Surface Area: 61 Å2
Polarizability: 28.6±0.5 10-24cm3
Surface Tension: 43.0±3.0 dyne/cm
Molar Volume: 236.0±3.0 cm3

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