Spektraris NMR
3,6,20-tri-Deacetylteupyreinidine
Common Name: 3,6,20-tri-Deacetylteupyreinidine
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H30O8/c1-12-7-18(25)21(10-28-13(2)23)16(3-4-17(24)22(21)11-29-22)20(12)8-15(30-19(20)26)14-5-6-27-9-14/h5-6,9,12,15-19,24-26H,3-4,7-8,10-11H2,1-2H3/t12-,15+,16-,17+,18+,19+,20-,21+,22-/m1/s1
InChIKey: InChIKey=MBQWDBKXNSBRQQ-BNOJVWAASA-N
Formula: C22H30O8
Molecular Weight: 422.469652
Exact Mass: 422.194068
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ladjel, S., Laamara, K., Alhillo, M.R.Y., Pais, M. Phytochemistry (1994) 37, 1663-6
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) | 22.4 |
| 2 (CH2) | 34 |
| 3 (CH) | 66.4 |
| 4 (C) | 69.6 |
| 5 (C) | 45.6 |
| 6 (CH) | 71.1 |
| 7 (CH2) | 36.1 |
| 8 (CH) | 41.8 |
| 9 (C) | 53.5 |
| 10 (CH) | 51.3 |
| 11 (CH2) | 44.5 |
| 12 (CH) | 74.4 |
| 13 (C) | 125.6 |
| 14 (CH) | 109.3 |
| 15 (CH) | 143.8 |
| 16 (CH) | 139.9 |
| 17 (CH3) | 17.8 |
| 18 (CH2) | 43.6 |
| 19 (CH2) | 63.7 |
| 20 (CH) | 100.4 |
| 19a (C) | 172 |
| 19b (CH3) | 21.7 |
