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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- Other data available:
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Normal alkane RI, non-polar column, temperature ramp
Go To: Top, 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
| Column type | Capillary | Capillary | Capillary |
|---|---|---|---|
| Active phase | OV-1 | HP-5 MS | OV-1 |
| Column length (m) | 30. | 30. | 30. |
| Carrier gas | Helium | Helium | He |
| Substrate | |||
| Column diameter (mm) | 0.25 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 100. | 100. | 70. |
| Tend (C) | 300. | 280. | 300. |
| Heat rate (K/min) | 6. | 5. | 6. |
| Initial hold (min) | 2. | 3. | |
| Final hold (min) | 20. | ||
| I | 2362. | 2402. | 2370. |
| Reference | Asres, Sporer, et al., 2008 | Christov and Evstatieva, 2003 | Woldemichael and Wink, 2002 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-polar column, temperature ramp, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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]
Notes
Go To: Top, Normal alkane RI, non-polar column, temperature ramp, References
- Symbols used in this document:
Tend Final temperature Tstart Initial temperature - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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