Spektraris NMR
Cascarillin D
Common Name: Cascarillin D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H30O5/c1-14-17(26-15(2)24)11-20(3)18(5-6-19-21(20,4)27-19)22(14,13-23)9-7-16-8-10-25-12-16/h8,10,12-14,17-19H,5-7,9,11H2,1-4H3/t14-,17-,18+,19-,20-,21-,22-/m1/s1
InChIKey: InChIKey=YLZPJQVMLYKGIB-CGFGQKBYSA-N
Formula: C22H30O5
Molecular Weight: 374.471437
Exact Mass: 374.209324
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Vigor, C., Fabre, N., Fouraste, I., Moulis, C. Phytochemistry (2001) 57, 1209-12
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) | 17.1 |
| 2 (CH2) | 29 |
| 3 (CH) | 63.5 |
| 4 (C) | 66.7 |
| 5 (C) | 37.6 |
| 6 (CH2) | 41.1 |
| 7 (CH) | 75.9 |
| 8 (CH) | 38.5 |
| 9 (C) | 54.9 |
| 10 (CH) | 49.9 |
| 11 (CH2) | 32.2 |
| 12 (CH2) | 18.4 |
| 13 (C) | 126 |
| 14 (CH) | 111.8 |
| 15 (CH) | 144.3 |
| 16 (CH) | 140.1 |
| 17 (CH3) | 13.5 |
| 18 (CH3) | 20.1 |
| 19 (CH3) | 19.5 |
| 20 (CH) | 208.1 |
| 7a (C) | 172.1 |
| 7b (CH3) | 21.3 |
