symphytine
- CAS NO.：22571-95-5
- Empirical Formula: C20H31NO6
- Molecular Weight: 381.46
- MDL number: MFCD34469383
- SAFETY DATA SHEET (SDS)
- Update Date: 2025-04-17 18:22:24
What is symphytine?
Description
This pyrrolizidine alkaloid occurs in the roots of Symphytum officinale Linn. and is difficult to crystallize. The above structure has been proposed on the basis of chemical degradation and spectroscopic evidence.
Definition
ChEBI: A but-2-enoate ester obtained by formal condensation of the carboxy group of (2E)-2-methylbut-2-enoic acid with the 1-hydroxy group of (1R,7aR)-7-({[(2S,3S)-2,3-dihydroxy- -isopropylbutanoyl]oxy}methyl)-2,3,5,7a-tetrahydro-1H-pyrrolizin-1-ol.
References
Furuya, Araki., Chem. Pharm. Bull. (Tokyo), 16,2512 (1968)
Structure:
Furuya, Hikichi., Phytochem., 10, 2217 (1971)
Properties of symphytine
| Boiling point: | 508.85°C (rough estimate) |
| Density | 1.2168 (rough estimate) |
| refractive index | 1.5614 (estimate) |
| pka | 12.59±0.29(Predicted) |
| IARC | 3 (Vol. 31, Sup 7) 1987 |
Safety information for symphytine
Computed Descriptors for symphytine
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