Spektraris NMR
1,19;4,18-diepoxy-6-hydroxyneoclerod-13-en-15,16-olide
Common Name: 1,19;4,18-diepoxy-6-hydroxyneoclerod-13-en-15,16-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O5/c1-12-7-15(21)20-11-24-14(4-6-19(20)10-25-19)17(20)18(12,2)5-3-13-8-16(22)23-9-13/h8,12,14-15,17,21H,3-7,9-11H2,1-2H3/t12-,14+,15+,17-,18+,19+,20-/m1/s1
InChIKey: InChIKey=BUAZYLDEOFKLSO-DIFBKIQNSA-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 (CH) | 77.7 |
| 2 (CH2) | 38.2 |
| 3 (CH2) | 28 |
| 4 (C) | 65.6 |
| 5 (C) | 51.9 |
| 6 (CH) | 68.1 |
| 7 (CH2) | 32.4 |
| 8 (CH) | 35.8 |
| 9 (C) | 36.8 |
| 10 (CH) | 54.9 |
| 11 (CH2) | 32.7 |
| 12 (CH2) | 23.1 |
| 13 (C) | 169.8 |
| 14 (CH) | 115.5 |
| 15 (C) | 173.6 |
| 16 (CH2) | 72.9 |
| 17 (CH3) | 15.3 |
| 18 (CH2) | 53.2 |
| 19 (CH2) | 71.4 |
| 20 (CH3) | 16.8 |
