Supinine

Formula: C₁₅H₂₅NO₄
Molecular weight: 283.3633
IUPAC Standard InChI: InChI=1S/C15H25NO4/c1-10(2)15(19,11(3)17)14(18)20-9-12-7-13-5-4-6-16(13)8-12/h8,10-11,13,17,19H,4-7,9H2,1-3H3/t11-,13?,15+/m0/s1
IUPAC Standard InChIKey: APQQKMAYNOGMPK-LKVSRFHLSA-N
CAS Registry Number: 551-58-6
Chemical structure:
This structure is also available as a 2d Mol file
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Gas Chromatography

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Column type	Active phase	I	Reference	Comment
Capillary	OV-1	1978.	El-Shazly, El-Domiaty, et al., 1998	He, 6. K/min; Column length: 30. m; T_start: 150. C; T_end: 300. C
Capillary	DB-1	1978.	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	1978.	El-Shazly, Sarg, et al., 1996, 2	He, 170. C @ 5. min, 10. K/min, 300. C @ 15. min; Column length: 30. m

Column type	Active phase	I	Reference	Comment
Capillary	DB-1	1977.	Weber, Eisenreich, et al., 1999	He, 6. K/min; Column length: 30. m; Column diameter: 0.32 mm; T_start: 150. C; T_end: 300. C
Capillary	DB-1	1978.	Witte, Rubiolo, et al., 1992	He, 6. K/min; Column length: 30. m; Column diameter: 0.32 mm; T_start: 150. C; T_end: 300. C

Column type	Active phase	I	Reference	Comment
Capillary	DB-1	1978.	Frolich, Ober, et al., 2007	Column length: 30. m; Column diameter: 0.32 mm; Program: not specified

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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]

Weber, Eisenreich, et al., 1999
Weber, S.; Eisenreich, W.; Bacher, A.; Hartmann, T., Pyrrolizidine alkaloids of the lycopsamine type: biosynthesis of thracelanthic acid, Phytochemistry, 1999, 50, 6, 1005-1014, https://doi.org/10.1016/S0031-9422(98)00203-9 . [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]

Frolich, Ober, et al., 2007
Frolich, C.; Ober, D.; Hartmann, T., Tissue distribution, core biosynthesis and diversification of pyrrolizidine alkaloids of the lycopsamine type in three Boraginaceae species, Phytochemistry, 2007, 68, 7, 1026-1037, https://doi.org/10.1016/j.phytochem.2007.01.002 . [all data]

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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