Spektraris NMR
?4,15-Isoatripliciolide tiglate
Common Name: ?4,15-Isoatripliciolide tiglate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H22O6/c1-6-10(2)18(22)25-15-9-20(5)16(21)8-13(26-20)11(3)7-14-17(15)12(4)19(23)24-14/h6,8,14-15,17H,3-4,7,9H2,1-2,5H3/b10-6+/t14-,15-,17+,20-/m1/s1
InChIKey: InChIKey=BITFKDUCQOBZDL-KZSDYASMSA-N
Formula: C20H22O6
Molecular Weight: 358.385844
Exact Mass: 358.141638
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Gershenzon, J., Mabry, T.J. Phytochemistry (1984) 23, 2557-9
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) | 205 |
| 2 (CH) | 103.5 |
| 3 (C) | 184.3 |
| 4 (C) | 136.3 |
| 5 (CH2) | 41.9 |
| 6 (CH) | 77.5 |
| 7 (CH) | 51.3 |
| 8 (CH) | 73.9 |
| 9 (CH2) | 43.3 |
| 10 (C) | 88.6 |
| 11 (C) | 139.4 |
| 12 (C) | 168.1 |
| 13 (CH2) | 122.1 |
| 14 (CH3) | 22.2 |
| 15 (CH2) | 121 |
| 8a (C) | 166.2 |
| 8b (C) | 127.4 |
| 8c (CH) | 139 |
| 8d (CH3) | 14.4 |
| 8e (CH3) | 11.7 |
