Spektraris NMR
Teuctosin
Common Name: Teuctosin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H28O8/c1-12-7-17(25)21-10-28-19(26)20(12,8-15(24)14-5-6-27-9-14)16(21)3-4-18(30-13(2)23)22(21)11-29-22/h5-6,9,12,15-18,24-25H,3-4,7-8,10-11H2,1-2H3/t12-,15+,16-,17-,18+,20-,21+,22-/m1/s1
InChIKey: InChIKey=YXZZVNUGSZFDMS-UHRCTWHHSA-N
Formula: C22H28O8
Molecular Weight: 420.45377
Exact Mass: 420.178418
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Krishna Kumari, G.N., Aravind, S., Balachandran, J., Ganesh, M.R., Soundarya Devi, S., Rajan, S.S., Malathi, R., Ravikumar, K. Phytochemistry (2003) 64, 1119-23
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) | 23.1 |
| 2 (CH2) | 29.5 |
| 3 (CH) | 62 |
| 4 (C) | 60 |
| 5 (C) | 49.9 |
| 6 (CH) | 68.1 |
| 7 (CH2) | 37.2 |
| 8 (CH) | 36.9 |
| 9 (C) | 42 |
| 10 (CH) | 29.6 |
| 11 (CH2) | 36.9 |
| 12 (CH) | 68.4 |
| 13 (C) | 132.5 |
| 14 (CH) | 109.2 |
| 15 (CH) | 138.6 |
| 16 (CH) | 143.3 |
| 17 (CH3) | 16.2 |
| 18 (CH2) | 49.7 |
| 19 (CH2) | 71.5 |
| 20 (C) | 172.1 |
| 3a (C) | 169.4 |
| 3b (CH3) | 20.1 |
