Common Name: 6,7-di-epi-Casuarine
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C8H15NO5/c10-2-3-6(12)8(14)5-7(13)4(11)1-9(3)5/h3-8,10-14H,1-2H2/t3-,4-,5-,6-,7+,8-/m1/s1
InChIKey: InChIKey=AXTGOJVKRHFYBT-IIKNFUEMSA-N
Formula: C8H15N1O5
Molecular Weight: 205.208766
Exact Mass: 205.095023
NMR Solvent: D2O
MHz:
Calibration:
NMR references: 13C - Davis, A.S., Ritthiwigrom, T., Pyne, S.G. Tetrahedron (2008) 64, 4868-79
Species:
Notes: Family : Alkaloids, Type : Pyrrolizidines; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Position | PPM |
---|---|
1 (CH) | 74.4 |
2 (CH) | 80.1 |
3 (CH) | 73 |
5 (CH2) | 60.6 |
6 (CH) | 79.3 |
7 (CH) | 75.5 |
7a (CH) | 71.7 |
8 (CH2) | 63 |