Spektraris NMR
8-O-angeloyl-tovarol
Common Name: 8-O-angeloyl-tovarol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O3/c1-7-16(6)20(22)23-18-12-15(5)10-8-9-14(4)11-17(21)19(18)13(2)3/h7,10-11,13,17-19,21H,8-9,12H2,1-6H3/b14-11+,15-10+,16-7-/t17-,18-,19-/m0/s1
InChIKey: InChIKey=PKQHNSVYCSSAAW-UROSTWFSSA-N
Formula: C20H32O3
Molecular Weight: 320.467037
Exact Mass: 320.235145
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Schmiech, L., Uemura, D., Hofmann, T. J Agric Food Chem (2008) 56, 10252-60
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 (CH) | 131.7 |
| 2 (CH2) | 24.5 |
| 3 (CH2) | 38.7 |
| 4 (C) | 133.3 |
| 5 (CH) | 133.3 |
| 6 (CH) | 67.3 |
| 7 (CH) | 54.4 |
| 8 (CH) | 74.2 |
| 9 (CH2) | 42 |
| 10 (C) | 128.9 |
| 11 (CH) | 26.3 |
| 12 (CH3) | 21 |
| 13 (CH3) | 23.2 |
| 14 (CH3) | 20.8 |
| 15 (CH3) | 16 |
| 8a (C) | 168.9 |
| 8b (C) | 126.7 |
| 8c (CH) | 140 |
| 8d (CH3) | 15.8 |
| 8ba (CH3) | 20.2 |
