Spektraris NMR
epoxy-Siderol
Common Name: epoxy-Siderol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H34O4/c1-13(24)25-17-10-16-19(2,12-23)8-5-9-20(16,3)15-7-6-14-11-22(15,17)18-21(14,4)26-18/h14-18,23H,5-12H2,1-4H3/t14-,15+,16-,17+,18+,19-,20+,21+,22-/m1/s1
InChIKey: InChIKey=YSPZBZPFWJQSQN-SAFIEXBJSA-N
Formula: C22H34O4
Molecular Weight: 362.503795
Exact Mass: 362.24571
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Baser, K.H.C., Bondi, M.L., Bruno, M., Kirimer, N., Piozzi, F., Tumen, G., Vassallo, N. Phytochemistry (1996) 43, 1293-5
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Kauranes; 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) | 39.8 |
| 2 (CH2) | 17.6 |
| 3 (CH2) | 35.1 |
| 4 (C) | 36.9 |
| 5 (CH) | 39.4 |
| 6 (CH2) | 23.1 |
| 7 (CH) | 75.4 |
| 8 (C) | 46.6 |
| 9 (CH) | 46.5 |
| 10 (C) | 38.8 |
| 11 (CH2) | 17.8 |
| 12 (CH2) | 27.2 |
| 13 (CH) | 38.9 |
| 14 (CH2) | 30.9 |
| 15 (CH) | 63.5 |
| 16 (C) | 78.4 |
| 17 (CH3) | 17.4 |
| 18 (CH2) | 71.1 |
| 19 (CH3) | 17.5 |
| 20 (CH3) | 14.4 |
| 7a (C) | 178.8 |
| 7b (CH3) | 21.4 |
