Chemical Property of Isoline
Chemical Property:
- Vapor Pressure:4.45E-16mmHg at 25°C
- Melting Point:l73°C
- Boiling Point:584.1°C at 760 mmHg
- Flash Point:307.1°C
- PSA：102.37000
- Density:1.27g/cm3
- LogP:0.89630
- XLogP3:1
- Hydrogen Bond Donor Count:1
- Hydrogen Bond Acceptor Count:8
- Rotatable Bond Count:3
- Exact Mass:395.19440226
- Heavy Atom Count:28
- Complexity:705
- Purity/Quality:
-
99% *data from raw suppliers
Safty Information:
- Pictogram(s):
- Hazard Codes:
- MSDS Files:
-
SDS file from LookChem
Useful:
- Canonical SMILES:CCC1(CC(C(C(=O)OCC2=CCN3C2C(CC3)OC1=O)(C)OC(=O)C)C)O
- Isomeric SMILES:CC[C@]1(C[C@H]([C@](C(=O)OCC2=CCN3[C@H]2[C@@H](CC3)OC1=O)(C)OC(=O)C)C)O
-
Description
Senecio othonniformis yields this alkaloid which forms colourless crystals when
recrystallized from Me2CO-light petroleum. The alkaloid has [α]29D?? - 4.8°
(c 1.78, EtOH). Alkaline hydrolysis yields retronecine, acetic acid and isolinecic acid. Mass spectral data and chemical degradation studies have shown the latter
to be 2: 5-dihydroxy-3-methylheptane-2: 5-dicarboxylic acid or the 2 A-dihydroxy
isomer.
