ChemSpider 2D Image | 3beta-acetoxy-15alpha-hydroxy-22(29)-hopene | C32H52O3

3β-acetoxy-15α-hydroxy-22(29)-hopene

  • Molecular FormulaC32H52O3
  • Average mass484.754 Da
  • Monoisotopic mass484.391632 Da
  • ChemSpider ID28431407

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(3β,15α)-15-Hydroxyhop-22(29)-en-3-yl acetate [ACD/IUPAC Name]
1H-Cyclopenta[a]chrysene-5,9-diol, eicosahydro-5a,5b,8,8,11a,13b-hexamethyl-3-(1-methylethenyl)-, 9-acetate, (3S,3aS,5S,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)- [ACD/Index Name]
3β-acetoxy-15α-hydroxy-22(29)-hopene
Acétate de (3β,15α)-15-hydroxyhop-22(29)-én-3-yle [French] [ACD/IUPAC Name]
3β-acetoxy-15α-hydroxy-22(29)-hopene
  • Miscellaneous

    • Chemical Class:

      A hopanoid that is hop-22(29)-ene substituted by an acetoxy group at position 3 and a hydroxy group at position 15 (the 3<stereo>beta</stereo>,15<stereo>alpha</stereo>-stereoisomer). It has been isola ted from <ital>Hypocrella</ital> species. ChEBI CHEBI:69631
      A hopanoid that is hop-22(29)-ene substituted by an acetoxy group at position 3 and a hydroxy group at position 15 (the 3beta,15alpha-stereoisomer). It has been isola; ted from Hypocrella species. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:69631
      A hopanoid that is hop-22(29)-ene substituted by an acetoxy group at position 3 and a hydroxy group at position 15 (the 3beta,15alpha-stereoisomer). It has been isolated from Hypocrella species. ChEBI CHEBI:69631

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

Density: 1.1±0.1 g/cm3
Boiling Point: 531.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 92.8±6.0 kJ/mol
Flash Point: 190.8±22.9 °C
Index of Refraction: 1.534
Molar Refractivity: 142.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 9.87
ACD/LogD (pH 5.5): 8.71
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1308297.13
ACD/LogD (pH 7.4): 8.71
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1308297.13
Polar Surface Area: 47 Å2
Polarizability: 56.6±0.5 10-24cm3
Surface Tension: 40.7±5.0 dyne/cm
Molar Volume: 459.2±5.0 cm3

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