Spektraris NMR
3b-Hydroxyteubutilin A
Common Name: 3b-Hydroxyteubutilin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H28O7/c1-12-7-18(28-13(2)23)21-10-26-19-20(12,8-15(29-19)14-5-6-25-9-14)16(21)3-4-17(24)22(21)11-27-22/h5-6,9,12,15-19,24H,3-4,7-8,10-11H2,1-2H3/t12-,15+,16-,17+,18+,19?,20-,21+,22-/m1/s1
InChIKey: InChIKey=FCSFSCWZIVDVQE-OHRLNXKXSA-N
Formula: C22H28O7
Molecular Weight: 404.454365
Exact Mass: 404.183503
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Bruno, M., Bondi, M.L., Rosselli, S., Maggio, A., Piozzi, F., Arnold, N.A. J Nat Prod (2002) 65, 142-6
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) | 24.8 |
| 2 (CH2) | 31.2 |
| 3 (CH) | 66.5 |
| 4 (C) | 67.2 |
| 5 (C) | 40.8 |
| 6 (CH) | 73.9 |
| 7 (CH2) | 35.3 |
| 8 (CH) | 35.8 |
| 9 (C) | 48.7 |
| 10 (CH) | 46.5 |
| 11 (CH2) | 38.3 |
| 12 (CH) | 73.7 |
| 13 (C) | 126.2 |
| 14 (CH) | 108.5 |
| 15 (CH) | 143.5 |
| 16 (CH) | 139.5 |
| 17 (CH3) | 16.2 |
| 18 (CH2) | 44.9 |
| 19 (CH2) | 62.6 |
| 20 (CH) | 102.7 |
| 6a (C) | 170.5 |
| 6b (CH3) | 21.3 |
