Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, (2,3,5,7a-tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl)methyl ester, [1S-[1α,7(2R*,3R*),7aα]]-
- Formula: C15H25NO5
- Molecular weight: 299.3627
- IUPAC Standard InChI: InChI=1S/C15H25NO5/c1-9(2)15(20,10(3)17)14(19)21-8-11-4-6-16-7-5-12(18)13(11)16/h4,9-10,12-13,17-18,20H,5-8H2,1-3H3
- IUPAC Standard InChIKey: SFVVQRJOGUKCEG-UHFFFAOYSA-N
- CAS Registry Number: 480-83-1
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Stereoisomers:
- Other names: Echinatine; Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, (2,3,5,7a-tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl)methyl ester, (1S-(1α,7(2R,3S),7aα))-
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Gas Chromatography
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Kovats' RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | OV-1 | 2170. | El-Shazly, El-Domiaty, et al., 1998 | He, 6. K/min; Column length: 30. m; Tstart: 150. C; Tend: 300. C |
| Capillary | DB-1 | 2175. | El-Shazly, Sarg, et al., 1996 | He, 170. C @ 5. min, 10. K/min, 300. C @ 15. min; Column length: 30. m; Column diameter: 0.317 mm |
| Capillary | DB-1 | 2172. | El-Shazly, Sarg, et al., 1996, 2 | He, 170. C @ 5. min, 10. K/min, 300. C @ 15. min; Column length: 30. m |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-1 | 2172. | Witte, Rubiolo, et al., 1992 | He, 6. K/min; Column length: 30. m; Column diameter: 0.32 mm; Tstart: 150. C; Tend: 300. C |
References
Go To: Top, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
El-Shazly, El-Domiaty, et al., 1998
El-Shazly, A.; El-Domiaty, M.; Witte, L.; Wink, M.,
Pyrrolizidine alkaloids in members of the boraginaceae from Sinai (Egypt),
Biochem. Syst. Ecol., 1998, 26, 6, 619-636, https://doi.org/10.1016/S0305-1978(98)00028-3
. [all data]
El-Shazly, Sarg, et al., 1996
El-Shazly, A.; Sarg, T.; Witte, L.; Wink, M.,
Pyrrolizidine alkaloids from Cynoglossum creticum,
Phytochemistry, 1996, 42, 4, 1217-1221, https://doi.org/10.1016/0031-9422(96)00112-4
. [all data]
El-Shazly, Sarg, et al., 1996, 2
El-Shazly, A.; Sarg, T.; Ateya, A.; Abdel Aziz, E.; Witte, L.; Wink, M.,
Pyrrolizidine alkaloids of cynoglossum officinale and Cynoglossum amabile (family boraginaceae),
Biochem. Syst. Ecol., 1996, 24, 5, 415-421, https://doi.org/10.1016/0305-1978(96)00035-X
. [all data]
Witte, Rubiolo, et al., 1992
Witte, L.; Rubiolo, P.; Bicchi, C.; Hartmann, T.,
Comparative analysis of pyrrolizidine alkaloids from natural sources by gas chromatography-mass spectrometry,
Phytochemistry, 1992, 32, 1, 187-196, https://doi.org/10.1016/0031-9422(92)80130-7
. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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