Integerrimine
- Formula: C18H25NO5
- Molecular weight: 335.3948
- IUPAC Standard InChI: InChI=1S/C18H25NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4-5,11,14-15,22H,6-10H2,1-3H3/b12-4+/t11-,14-,15-,18-/m1/s1
- IUPAC Standard InChIKey: HKODIGSRFALUTA-IKZAEVNJSA-N
- CAS Registry Number: 480-79-5
- 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: Inegerrimine; Intergerrimine; Pyrrolizine-2,7-dione, 3-ethylidene-3,4,5,6,9,11,13,14,14a,14b-decahydro-6-hydroxy-5,6-dimethyl(1,6)dioxacyclododecino(2,3,4-gh)-; Senecionan-11,16-dione, 12-hydroxy-, (15E)-; Squalidin; Squalidine
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Mass spectrum (electron ionization)
Go To: Top, Gas Chromatography, References, Notes
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
Spectrum
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Additional Data
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| Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | P. SCHMID, INST. TOXIKOL., UNIV. ZURICH, SCHWERZENBACH, SWITZ. |
| NIST MS number | 103696 |
Gas Chromatography
Go To: Top, Mass spectrum (electron ionization), References, Notes
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 | 2367. | El-Shazly, 2002 | 30. m/0.25 mm/0.25 μm, He, 120. C @ 3. min, 6. K/min, 300. C @ 10. min |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-1 | 2350. | Witte, Rubiolo, et al., 1992 | He, 6. K/min; Column length: 30. m; Column diameter: 0.32 mm; Tstart: 150. C; Tend: 300. C |
| Capillary | OV-1 | 2355. | Witte, Rubiolo, et al., 1992 | 25. m/0.25 mm/0.5 μm, H2, 6. K/min; Tstart: 150. C; Tend: 300. C |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | OV-1 | 2362. | Asres, Sporer, et al., 2008 | 30. m/0.25 mm/0.25 μm, Helium, 6. K/min; Tstart: 100. C; Tend: 300. C |
| Capillary | HP-5 MS | 2402. | Christov and Evstatieva, 2003 | 30. m/0.25 mm/0.25 μm, Helium, 100. C @ 2. min, 5. K/min, 280. C @ 20. min |
| Capillary | OV-1 | 2370. | Woldemichael and Wink, 2002 | 30. m/0.32 mm/0.25 μm, He, 70. C @ 3. min, 6. K/min; Tend: 300. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 2402. | Yusuf and Bewaji, 2011 | Column length: 30. m; Column diameter: 0.32 mm; Program: not specified |
| Capillary | DB-1 | 2352. | Asres, Sporer, et al., 2004 | He; Column length: 30. m; Column diameter: 0.3 mm; Program: 120C => (6C/min or 1.5C/min) => 300C |
References
Go To: Top, Mass spectrum (electron ionization), 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, 2002
El-Shazly, A.,
Pyrrolizidine alkaloid profiles of some Senecio species from Egypt,
Z. Naturforsch. C:, 2002, 57, 429-433. [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]
Asres, Sporer, et al., 2008
Asres, K.; Sporer, F.; Wink, M.,
Occurence of pyrrolizidine alkaloids in three Ethiopian Solanecio species,
Biochem. Systematics and Ecology, 2008, 36, 5-6, 399-407, https://doi.org/10.1016/j.bse.2007.10.003
. [all data]
Christov and Evstatieva, 2003
Christov, V.; Evstatieva, L.,
Alkaloid profile of Bulgarian species from genus Senecio L.,
Z. Naturforsch., 2003, 58c, 300-302. [all data]
Woldemichael and Wink, 2002
Woldemichael, G.M.; Wink, M.,
Concomitant occurrence of pyrrolizidine and quinolizidine alkaloids in hemiparasite Osyris alba L. (Santalaceae),
Biochem. Syst. Ecol., 2002, 30, 2, 139-149, https://doi.org/10.1016/S0305-1978(01)00065-5
. [all data]
Yusuf and Bewaji, 2011
Yusuf, O.K.; Bewaji, C.O.,
Evaluation of essential oils composition of methanolic Allium sativum extract on Trypanosoma brucei infected rats,
Res. Pharmaceutical Biotechnol., 2011, 3, 2, 17-21. [all data]
Asres, Sporer, et al., 2004
Asres, K.; Sporer, F.; Wink, M.,
Patterns of pyrrolizidine alkaloids in 12 Ethiopian Crotalaria species,
Biochem. Syst. Ecol., 2004, 32, 10, 915-930, https://doi.org/10.1016/j.bse.2004.03.004
. [all data]
Notes
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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