Spektraris NMR
4b,15-Epoxymiller-9E-enolide
Common Name: 4b,15-Epoxymiller-9E-enolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H22O7/c1-10(2)17(22)25-13-7-12(8-20)5-4-6-19(9-24-19)16(21)15-14(13)11(3)18(23)26-15/h7-8,13-16,21H,1,3-6,9H2,2H3/b12-7+/t13-,14-,15+,16+,19?/m1/s1
InChIKey: InChIKey=OGCMEEKAZKEDQP-CYJNWUTCSA-N
Formula: C19H22O7
Molecular Weight: 362.374513
Exact Mass: 362.136553
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Jakupovic, J., Castro, V., Bohlmann, F. Phytochemistry (1987) 26, 2011-7
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 (CH2) | 24.8 |
| 2 (CH2) | 18.9 |
| 3 (CH2) | 22 |
| 4 (C) | 55.7 |
| 5 (CH) | 81.4 |
| 6 (CH) | 79.2 |
| 7 (CH) | 42.7 |
| 8 (CH) | 72.8 |
| 9 (CH) | 149.9 |
| 10 (C) | 144.2 |
| 11 (C) | 134.3 |
| 12 (C) | 169 |
| 13 (CH2) | 125.3 |
| 14 (CH) | 194 |
| 15 (CH2) | 51 |
| 8a (C) | 166 |
| 8b (C) | 135 |
| 8c (CH2) | 127.5 |
| 8d (CH3) | 18.1 |
