Spektraris NMR
9b-Tigloyloxy-atripliciolide
Common Name: 9b-Tigloyloxy-atripliciolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H22O7/c1-6-9(2)18(23)26-17-16(22)15-11(4)19(24)25-13(15)7-10(3)12-8-14(21)20(17,5)27-12/h6-8,13,15-17,22H,4H2,1-3,5H3/b9-6+,10-7-/t13-,15+,16+,17+,20+/m1/s1
InChIKey: InChIKey=MUQQCEVIMQUCHZ-XABIGMOASA-N
Formula: C20H22O7
Molecular Weight: 374.385249
Exact Mass: 374.136553
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rosas-Romero, A., Manchado, C.M., Crescente, O., Acosta, M., Curini, M., Epifano, F., Marcotullio, M.C., Rosati, O., Tubaro, A., Sosa, S. Planta Med (2002) 68, 843-5
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Germacranes; 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) | 203.9 |
| 2 (CH) | 104.9 |
| 3 (C) | 184.4 |
| 4 (C) | 130.9 |
| 5 (CH) | 134.6 |
| 6 (CH) | 73.8 |
| 7 (CH) | 47.7 |
| 8 (CH) | 77 |
| 9 (CH) | 80 |
| 10 (C) | 85.7 |
| 11 (C) | 140.2 |
| 12 (C) | 168.9 |
| 13 (CH2) | 124.1 |
| 14 (CH3) | 19.6 |
| 15 (CH3) | 19.8 |
| 9a (C) | 166.6 |
| 9b (C) | 127.6 |
| 9c (CH) | 140.8 |
| 9d (CH3) | 14.8 |
| 9ba (CH3) | 12 |
