Spektraris NMR
4,18-epoxy-6-hydroxy-19-oxoneoclerod-13-en-15,16-olide
Common Name: 4,18-epoxy-6-hydroxy-19-oxoneoclerod-13-en-15,16-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O5/c1-13-8-16(22)20(11-21)15(4-3-6-19(20)12-25-19)18(13,2)7-5-14-9-17(23)24-10-14/h9,11,13,15-16,22H,3-8,10,12H2,1-2H3/t13-,15-,16+,18+,19+,20+/m1/s1
InChIKey: InChIKey=QEVXSUGCGBXIOV-KOSZUTRVSA-N
Formula: C20H28O5
Molecular Weight: 348.434084
Exact Mass: 348.193674
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Caballero, C., Castanera, P., Ortego, F., Fontana, G., Pierro, P., Savona, G., Rodriguez, B. Phytochemistry (2001) 58, 249-56
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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) | 21 |
| 2 (CH2) | 24.8 |
| 3 (CH2) | 31.7 |
| 4 (C) | 66.3 |
| 5 (C) | 54.5 |
| 6 (CH) | 73.2 |
| 7 (CH2) | 34.8 |
| 8 (CH) | 34.3 |
| 9 (C) | 39.1 |
| 10 (CH) | 49.1 |
| 11 (CH2) | 34.5 |
| 12 (CH2) | 22.1 |
| 13 (C) | 169.6 |
| 14 (CH) | 115.5 |
| 15 (C) | 173.5 |
| 16 (CH2) | 72.8 |
| 17 (CH3) | 15.4 |
| 18 (CH2) | 50.4 |
| 19 (CH) | 205.1 |
| 20 (CH3) | 18.8 |
