Spektraris NMR
20-O-Deacetyl-20-methoxyteupyreinidin
Common Name: 20-O-Deacetyl-20-methoxyteupyreinidin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H36O10/c1-15-10-23(36-18(4)30)26(13-33-16(2)28)21(6-7-22(35-17(3)29)27(26)14-34-27)25(15)11-20(37-24(25)31-5)19-8-9-32-12-19/h8-9,12,15,20-24H,6-7,10-11,13-14H2,1-5H3/t15-,20+,21-,22+,23+,24+,25-,26+,27-/m1/s1
InChIKey: InChIKey=LVCQKKUTHVMNLC-SWTHLXINSA-N
Formula: C27H36O10
Molecular Weight: 520.569786
Exact Mass: 520.230847
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) | 22 |
| 2 (CH2) | 31.9 |
| 3 (CH) | 67 |
| 4 (C) | 65 |
| 5 (C) | 45.9 |
| 6 (CH) | 70.5 |
| 7 (CH2) | 34.8 |
| 8 (CH) | 40.9 |
| 9 (C) | 52.9 |
| 10 (CH) | 51.2 |
| 11 (CH2) | 42.6 |
| 12 (CH) | 71.5 |
| 13 (C) | 124.9 |
| 14 (CH) | 108.7 |
| 15 (CH) | 143.4 |
| 16 (CH) | 139.4 |
| 17 (CH3) | 17.2 |
| 18 (CH2) | 43.6 |
| 19 (CH2) | 61.7 |
| 20 (CH) | 106.9 |
| 3a (C) | 170.2 |
| 3b (CH3) | 21.1 |
| 6a (C) | 170 |
| 6b (CH3) | 21.1 |
| 19a (C) | 169.6 |
| 19b (CH3) | 21 |
| 20a (CH3) | 54.7 |
