Spektraris NMR
6-Acetoxy-4,18-epoxy-19-hydroxyneoclerod-13-en-15,16-olide
Common Name: 6-Acetoxy-4,18-epoxy-19-hydroxyneoclerod-13-en-15,16-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H32O6/c1-14-9-18(28-15(2)24)22(12-23)17(5-4-7-21(22)13-27-21)20(14,3)8-6-16-10-19(25)26-11-16/h10,14,17-18,23H,4-9,11-13H2,1-3H3/t14-,17-,18+,20+,21+,22+/m1/s1
InChIKey: InChIKey=ATQSLLMQFIYMLY-FYHNCAPNSA-N
Formula: C22H32O6
Molecular Weight: 392.486723
Exact Mass: 392.219889
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) | 25 |
| 3 (CH2) | 32.3 |
| 4 (C) | 65.5 |
| 5 (C) | 46.2 |
| 6 (CH) | 74.3 |
| 7 (CH2) | 32.6 |
| 8 (CH) | 34.5 |
| 9 (C) | 38.2 |
| 10 (CH) | 47.8 |
| 11 (CH2) | 34.6 |
| 12 (CH2) | 22 |
| 13 (C) | 169.7 |
| 14 (CH) | 115.4 |
| 15 (C) | 173.6 |
| 16 (CH2) | 72.9 |
| 17 (CH3) | 15.3 |
| 18 (CH2) | 47.5 |
| 19 (CH2) | 61.6 |
| 20 (CH3) | 17.3 |
| 6a (C) | 169.5 |
| 6b (CH3) | 21.3 |
