ChemSpider 2D Image | Sterolic acid | C28H36O7

Sterolic acid

  • Molecular FormulaC28H36O7
  • Average mass484.581 Da
  • Monoisotopic mass484.246094 Da
  • ChemSpider ID29214754

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 13 of 13 defined stereocentres

More details:

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

(2S,3S,4E,6R)-6-[(1S,2R,3R,5S,6R,7R,9S,13R,16R,17S)-6-Hydroxy-2-methyl-10-oxo-4,8,19-trioxaheptacyclo[15.2.2.01,12.02,9.03,5.07,9.013,17]henicos-11-en-16-yl]-2,3-dimethyl-4-heptenoic acid [ACD/IUPAC Name]
(2S,3S,4E,6R)-6-[(1S,2R,3R,5S,6R,7R,9S,13R,16R,17S)-6-Hydroxy-2-methyl-10-oxo-4,8,19-trioxaheptacyclo[15.2.2.01,12.02,9.03,5.07,9.013,17]henicos-11-en-16-yl]-2,3-dimethyl-4-heptensäure [German] [ACD/IUPAC Name]
4-Heptenoic acid, 2,3-dimethyl-6-[(1R,3aR,5aS,6aR,7R,7aS,8aR,8bR,8cS,10aS)-2,3,3a,5,7,7a,8a,8b-octahydro-7-hydroxy-8b-methyl-5-oxo-6aH,10H-8c,10a-ethano-1H-bisoxireno[7,8:4a,5]naphtho[1,2-b]cyclopenta [d]pyran-1-yl]-, (2S,3S,4E,6R)- [ACD/Index Name]
Acide (2S,3S,4E,6R)-6-[(1S,2R,3R,5S,6R,7R,9S,13R,16R,17S)-6-hydroxy-2-méthyl-10-oxo-4,8,19-trioxaheptacyclo[15.2.2.01,12.02,9.03,5.07,9.013,17]hénicos-11-én-16-yl]-2,3-diméthyl-4-hepténoïque [French] [ACD/IUPAC Name]
Sterolic acid

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

Density: 1.4±0.1 g/cm3
Boiling Point: 707.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 118.3±6.0 kJ/mol
Flash Point: 237.8±26.4 °C
Index of Refraction: 1.623
Molar Refractivity: 125.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.03
ACD/LogD (pH 5.5): 2.89
ACD/BCF (pH 5.5): 54.47
ACD/KOC (pH 5.5): 326.84
ACD/LogD (pH 7.4): 1.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.14
Polar Surface Area: 109 Å2
Polarizability: 49.7±0.5 10-24cm3
Surface Tension: 60.0±5.0 dyne/cm
Molar Volume: 355.4±5.0 cm3

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