Spektraris NMR
Otostegin A
Common Name: Otostegin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H32O5/c1-14-16(24)17(26-15(2)23)18-19(3,4)7-6-8-20(18,5)22(14)10-9-21(27-22)11-12-25-13-21/h11-12,14,17-18H,6-10,13H2,1-5H3/t14-,17-,18+,20+,21+,22-/m1/s1
InChIKey: InChIKey=FKTKIKZTYBWJGJ-RDHZFTKQSA-N
Formula: C22H32O5
Molecular Weight: 376.487318
Exact Mass: 376.224974
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Al-Musayeib, N.M., Abbas, F.A., Ahmad, M.S., Mossa, J.S., El-Feraly, F.S. Phytochemistry (2000) 54, 771-5
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) | 34.4 |
| 2 (CH2) | 18.7 |
| 3 (CH2) | 43.7 |
| 4 (C) | 34.9 |
| 5 (CH) | 50.2 |
| 6 (CH) | 77.1 |
| 7 (C) | 204.2 |
| 8 (CH) | 46.7 |
| 9 (C) | 96.6 |
| 10 (C) | 43.1 |
| 11 (CH2) | 30.4 |
| 12 (CH2) | 37.6 |
| 13 (C) | 93.7 |
| 14 (CH) | 106.9 |
| 15 (CH) | 148.2 |
| 16 (CH2) | 80.5 |
| 17 (CH3) | 9.2 |
| 18 (CH3) | 32.6 |
| 19 (CH3) | 23.9 |
| 20 (CH3) | 19.4 |
| 6a (C) | 169.4 |
| 6b (CH3) | 21.3 |
