Spektraris NMR
Teucryemin
Common Name: Teucryemin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H28O8/c1-12-7-18(29-13(2)24)21(10-23)16(3-4-17(25)22(21)11-28-22)20(12)8-15(30-19(20)26)14-5-6-27-9-14/h5-6,9,12,15-18,23,25H,3-4,7-8,10-11H2,1-2H3/t12-,15+,16-,17+,18-,20-,21+,22-/m1/s1
InChIKey: InChIKey=YPSVWLQFDWURMS-MOKFWHHHSA-N
Formula: C22H28O8
Molecular Weight: 420.45377
Exact Mass: 420.178418
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Sattar, E.A., Mossa, J.S., Muhammad, I., Elferaly, F.S. Phytochemistry (1995) 40, 1737-41
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) | 22.5 |
| 2 (CH2) | 31.7 |
| 3 (CH) | 66.5 |
| 4 (C) | 66.2 |
| 5 (C) | 46.9 |
| 6 (CH) | 70.6 |
| 7 (CH2) | 33.8 |
| 8 (CH) | 33.3 |
| 9 (C) | 52.2 |
| 10 (CH) | 47.5 |
| 11 (CH2) | 44.8 |
| 12 (CH) | 72.1 |
| 13 (C) | 126.3 |
| 14 (CH) | 108.9 |
| 15 (CH) | 144.8 |
| 16 (CH) | 140.6 |
| 17 (CH3) | 16.5 |
| 18 (CH2) | 45.4 |
| 19 (CH2) | 61.7 |
| 20 (C) | 177.6 |
| 6a (C) | 169.7 |
| 6b (CH3) | 21.5 |
