Chemical Property of Hetisan-6,11-beta,15-beta-triol
Chemical Property:
- Melting Point:271 °C (decomp)
- Boiling Point:°Cat760mmHg
- PKA:13.50±0.70(Predicted)
- Flash Point:°C
- PSA：63.93000
- Density:1.46g/cm3
- LogP:1.05110
- XLogP3:0.7
- Hydrogen Bond Donor Count:3
- Hydrogen Bond Acceptor Count:4
- Rotatable Bond Count:0
- Exact Mass:329.19909372
- Heavy Atom Count:24
- Complexity:724
- Purity/Quality:
-
99% *data from raw suppliers
PSEUDOKOBUSINE 95.00% *data from reagent suppliers
Safty Information:
- Pictogram(s):
- Hazard Codes:
- MSDS Files:
-
SDS file from LookChem
Useful:
- Canonical SMILES:CC12CCCC34C1C5(CC67C3C(C(CC6C4N5C2)C(=C)C7O)O)O
- Isomeric SMILES:C[C@]12CCC[C@@]34[C@H]1[C@@]5(CC67[C@@H]3[C@@H](C(CC6C4N5C2)C(=C)[C@@H]7O)O)O
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Description
An atisine alkaloid, this base is found in Aconitum yesoensis Nakai and A. luci_x0002_dusculum Nakai. The nitrogen atom is tertiary and three hydroxyl groups are
present, the alkaloid also yielding a methiodide, m.p. 27SoC (dec.); an ethiodide,
m.p. above 290°C and the tribenzoyl derivative, colourless crystals, m.p. 131-
6°C. Like most of the atisine bases, this alkaloid is relative non-toxic.
