Spektraris NMR
3α,4α-Epoxyrupicolin-A
Common Name: 3α,4α-Epoxyrupicolin-A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H18O5/c1-6-4-8(16)10-7(2)13(17)19-11(10)12-14(3)9(20-14)5-15(6,12)18/h4,8-12,16,18H,2,5H2,1,3H3/t8-,9+,10+,11-,12-,14+,15+/m0/s1
InChIKey: InChIKey=PZDRZDGLTHNUDS-LMGGXVIJSA-N
Formula: C15H18O5
Molecular Weight: 278.300997
Exact Mass: 278.115424
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Todorova, M.N., Krasteva, M.L., Markova, M.M., Tsankova, E.T., Taskova, R.M., Peev, D.R. Phytochemistry (1998) 49, 2371-4
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Guaianes; 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)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (C) | 80.6 |
| 2 (CH2) | 42.2 |
| 3 (CH) | 63.1 |
| 4 (C) | 67.4 |
| 5 (CH) | 60.5 |
| 6 (CH) | 75 |
| 7 (CH) | 51.8 |
| 8 (CH) | 70.7 |
| 9 (CH) | 126.5 |
| 10 (C) | 137.4 |
| 11 (C) | 136.2 |
| 12 (C) | 169.1 |
| 13 (CH2) | 125.5 |
| 14 (CH3) | 24.8 |
| 15 (CH3) | 19.7 |
