Spektraris NMR
20-epi-3,20-Di-O-deacetylteupyreinidin
Common Name: 20-epi-3,20-Di-O-deacetylteupyreinidin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H32O9/c1-13-8-20(32-15(3)26)23(11-30-14(2)25)18(4-5-19(27)24(23)12-31-24)22(13)9-17(33-21(22)28)16-6-7-29-10-16/h6-7,10,13,17-21,27-28H,4-5,8-9,11-12H2,1-3H3/t13-,17+,18-,19+,20+,21-,22-,23+,24-/m1/s1
InChIKey: InChIKey=QGKJGQDHZIBMKX-QAIOPYPPSA-N
Formula: C24H32O9
Molecular Weight: 464.50641
Exact Mass: 464.204633
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) | 21.7 |
| 2 (CH2) | 33.3 |
| 3 (CH) | 65.7 |
| 4 (C) | 67.1 |
| 5 (C) | 45.2 |
| 6 (CH) | 68.7 |
| 7 (CH2) | 32.3 |
| 8 (CH) | 40.4 |
| 9 (C) | 49.9 |
| 10 (CH) | 51.6 |
| 11 (CH2) | 45.9 |
| 12 (CH) | 72.9 |
| 13 (C) | 125.6 |
| 14 (CH) | 108.7 |
| 15 (CH) | 143.4 |
| 16 (CH) | 139.5 |
| 17 (CH3) | 17.4 |
| 18 (CH2) | 43 |
| 19 (CH2) | 62 |
| 20 (CH) | 99.5 |
| 6a (C) | 171.1 |
| 6b (CH3) | 21.1 |
| 19a (C) | 170 |
| 19b (CH3) | 21 |
