ChemSpider 2D Image | hopane-6beta,11alpha,22,27-tetraol | C30H52O4

hopane-6β,11α,22,27-tetraol

  • Molecular FormulaC30H52O4
  • Average mass476.732 Da
  • Monoisotopic mass476.386566 Da
  • ChemSpider ID26346926

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(6β,11α)-Hopane-6,11,22,27-tetrol [ACD/IUPAC Name]
(6β,11α)-Hopane-6,11,22,27-tétrol [French] [ACD/IUPAC Name]
5aH-Cyclopenta[a]chrysene-3,5a-dimethanol, eicosahydro-7,12-dihydroxy-α3,α3,5b,8,8,11a,13b-heptamethyl-, (3S,3aS,5aS,5bR,7R,7aS,11aS,11bR,12R,13aR,13bS)- [ACD/Index Name]
hopane-6β,11α,22,27-tetraol
Hopane-6β,11α,22,27-tetraol
  • Miscellaneous

    • Chemical Class:

      A hopanoid that is hopane substituted by hydroxy groups at positions 6, 11, 22 and 27 respectively (the 6<stereo>beta</stereo>,11<stereo>alpha</stereo>-stereoisomer). It has been isolated from the m ycelium of <ital>Conoideocrella tenuis</ital>. ChEBI CHEBI:67964
      A hopanoid that is hopane substituted by hydroxy groups at positions 6, 11, 22 and 27 respectively (the 6beta,11alpha-stereoisomer). It has been isolated from the m; ycelium of Conoideocrella tenuis . ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:67964
      A hopanoid that is hopane substituted by hydroxy groups at positions 6, 11, 22 and 27 respectively (the 6beta,11alpha-stereoisomer). It has been isolated from the mycelium of Conoideocrella tenuis. ChEBI CHEBI:67964

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

Density: 1.1±0.1 g/cm3
Boiling Point: 580.6±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 99.7±6.0 kJ/mol
Flash Point: 237.0±20.5 °C
Index of Refraction: 1.542
Molar Refractivity: 136.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.05
ACD/LogD (pH 5.5): 4.75
ACD/BCF (pH 5.5): 2412.59
ACD/KOC (pH 5.5): 9178.63
ACD/LogD (pH 7.4): 4.75
ACD/BCF (pH 7.4): 2412.59
ACD/KOC (pH 7.4): 9178.63
Polar Surface Area: 81 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 43.8±3.0 dyne/cm
Molar Volume: 433.8±3.0 cm3

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