Spektraris NMR
1a-Senecioyloxy-2b,8a-dihydroxy-3a,4a-epoxyeudesm-11(13)-en-6a,12-olide
Common Name: 1a-Senecioyloxy-2b,8a-dihydroxy-3a,4a-epoxyeudesm-11(13)-en-6a,12-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O7/c1-8(2)6-11(22)25-16-13(23)17-20(5,27-17)15-14-12(9(3)18(24)26-14)10(21)7-19(15,16)4/h6,10,12-17,21,23H,3,7H2,1-2,4-5H3/t10-,12+,13-,14+,15+,16+,17+,19+,20-/m0/s1
InChIKey: InChIKey=BXMWOHOZNDHXQQ-POQKBOIFSA-N
Formula: C20H26O7
Molecular Weight: 378.417012
Exact Mass: 378.167853
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Stefani, R., Eberlin, M.N., Tomazela, D.M., Da Costa, F.B. J Nat Prod (2003) 66, 401-3
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eudesmanes; 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 (CH) | 76.5 |
| 2 (CH) | 69.4 |
| 3 (CH) | 61.3 |
| 4 (C) | 60.1 |
| 5 (CH) | 46.9 |
| 6 (CH) | 78.2 |
| 7 (CH) | 57.4 |
| 8 (CH) | 67 |
| 9 (CH2) | 44.2 |
| 10 (C) | 39.7 |
| 11 (C) | 136.9 |
| 12 (C) | 170.2 |
| 13 (CH2) | 120.6 |
| 14 (CH3) | 19.9 |
| 15 (CH3) | 23.7 |
| 1a (C) | 165.5 |
| 1b (CH) | 115.5 |
| 1c (C) | 159.9 |
| 1d (CH3) | 20.9 |
| 1e (CH3) | 28 |
