Spektraris NMR
6-Deacetyl-teucrolivin A
Common Name: 6-Deacetyl-teucrolivin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H28O8/c1-13-8-17(25)19(11-28-14(2)23)20(12-29-20)16(24)4-6-22(19)18(13,3)10-21(26,30-22)15-5-7-27-9-15/h5,7,9,13,17,25-26H,4,6,8,10-12H2,1-3H3/t13-,17+,18+,19+,20-,21-,22+/m1/s1
InChIKey: InChIKey=XCJRUBKUKRCPBT-FINMLKEYSA-N
Formula: C22H28O8
Molecular Weight: 420.45377
Exact Mass: 420.178418
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Bruno, M., Rosselli, S., Maggio, A., Piozzi, F., Scaglioni, L., Arnold, N.A., Simmonds, M.S. Chem Pharm Bull (2004) 52, 1497-500
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) | 28.2 |
| 2 (CH2) | 36.43 |
| 3 (C) | 204.26 |
| 4 (C) | 64.39 |
| 5 (C) | 48.62 |
| 6 (CH) | 68.86 |
| 7 (CH2) | 33.62 |
| 8 (CH) | 33.85 |
| 9 (C) | 49.29 |
| 10 (C) | 89.81 |
| 11 (CH2) | 50.58 |
| 12 (C) | 100.82 |
| 13 (C) | 132 |
| 14 (CH) | 108.14 |
| 15 (CH) | 143.93 |
| 16 (CH) | 138.26 |
| 17 (CH3) | 16.04 |
| 18 (CH2) | 52.51 |
| 19 (CH2) | 60.89 |
| 20 (CH3) | 15.28 |
| 19a (C) | 169.9 |
| 19b (CH3) | 20.48 |
