Spektraris NMR
Ajugalide-C
Common Name: Ajugalide-C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H34O8/c1-14-8-20(32-16(3)26)24(13-30-15(2)25)19(6-5-7-23(24)12-31-23)22(14,4)10-18(27)17-9-21(28)29-11-17/h9,14,18-20,27H,5-8,10-13H2,1-4H3/t14-,18+,19-,20+,22+,23+,24+/m1/s1
InChIKey: InChIKey=DSTKFVXVQRVYIH-VQSMGOMNSA-N
Formula: C24H34O8
Molecular Weight: 450.522887
Exact Mass: 450.225368
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) | 21.6 |
| 2 (CH2) | 32.9 |
| 3 (CH2) | 32.7 |
| 4 (C) | 65.1 |
| 5 (C) | 45.5 |
| 6 (CH) | 72.3 |
| 7 (CH2) | 24.7 |
| 8 (CH) | 35.3 |
| 9 (C) | 39.4 |
| 10 (CH) | 49 |
| 11 (CH2) | 43 |
| 12 (CH) | 65.3 |
| 13 (C) | 173 |
| 14 (CH) | 114.7 |
| 15 (C) | 173.2 |
| 16 (CH2) | 70.6 |
| 17 (CH3) | 15.4 |
| 18 (CH2) | 48.4 |
| 19 (CH2) | 61.7 |
| 20 (CH3) | 17.2 |
| 6a (C) | 171 |
| 6b (CH3) | 21.2 |
| 19a (C) | 170.2 |
| 19b (CH3) | 21.2 |
