Chemical Property of [(7S,8R)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S)-2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoate
Chemical Property:
- Vapor Pressure:1.57E-10mmHg at 25°C
- Boiling Point:463.3°C at 760 mmHg
- PKA:12.59±0.29(Predicted)
- Flash Point:234°C
- PSA:90.23000
- Density:1.26g/cm3
- LogP:-0.38940
- XLogP3:-0.4
- Hydrogen Bond Donor Count:3
- Hydrogen Bond Acceptor Count:6
- Rotatable Bond Count:6
- Exact Mass:299.17327290
- Heavy Atom Count:21
- Complexity:436
- Purity/Quality:
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99%+, *data from raw suppliers
Rinderine *data from reagent suppliers
Safty Information:
- Pictogram(s):
- Hazard Codes:
- MSDS Files:
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Useful:
- Canonical SMILES:CC(C)C(C(C)O)(C(=O)OCC1=CCN2C1C(CC2)O)O
- Isomeric SMILES:CC(C)[C@](C(C)O)(C(=O)OCC1=CCN2[C@H]1[C@H](CC2)O)O
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Description
An alkaloid, also belonging to the pyrrolizidine group, this base has been found
in Rindera baldshuanica Kusn. It forms colourless crystals from Me2CO and has
[α]20D + 24.62° (EtOH). Three non-phenolic hydroxyl groups are present and the
alkaloid forms well crystalline salts with mineral acids, e.g. the hydrochloride,
m.p. 152-3°C; hydrobromide, m.p. 123-4°C and the hydriodide, m.p. 118-
9°e. The structure may be deduced from the hydrolysis products which are
heliotridine and (+ )-trachelanthic acid.
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Uses
Rinderine is a pyrrolizidine alkaloid which are a class of compounds used as defense mechanisms in several plant families. Rinderine may be used by other insects, sequestered from food in use for their own defense and may also be found in some medicinal herb preparations.