Spektraris NMR
Ajugalide-D
Common Name: Ajugalide-D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H32O6/c1-12-8-17(23)21(3)14(19(25)26-4)6-5-7-16(21)20(12,2)10-15(22)13-9-18(24)27-11-13/h9,12,14-17,22-23H,5-8,10-11H2,1-4H3/t12-,14+,15+,16-,17+,20+,21+/m1/s1
InChIKey: InChIKey=BDMPRXRGZXNSLR-WLOBYMLMSA-N
Formula: C21H32O6
Molecular Weight: 380.475988
Exact Mass: 380.219889
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chan, Y.Y. Chem Pharm Bull (2005) 53, 164-7
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) | 21.4 |
| 2 (CH2) | 25.6 |
| 3 (CH2) | 25.6 |
| 4 (CH) | 56 |
| 5 (C) | 44.4 |
| 6 (CH) | 77.9 |
| 7 (CH2) | 36.2 |
| 8 (CH) | 35.7 |
| 9 (C) | 39.6 |
| 10 (CH) | 49.5 |
| 11 (CH2) | 43.8 |
| 12 (CH) | 65.4 |
| 13 (C) | 173.5 |
| 14 (CH) | 114.5 |
| 15 (C) | 172.9 |
| 16 (CH2) | 70.7 |
| 17 (CH3) | 15.7 |
| 18 (C) | 176.9 |
| 19 (CH3) | 9.4 |
| 20 (CH3) | 17.4 |
| 18a (CH3) | 51.6 |
