Spektraris NMR
Ajugamarin C1
Common Name: Ajugamarin C1
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H34O9/c1-13-7-19(33-15(3)26)24(12-31-14(2)25)21(17(27)5-6-23(24)11-32-23)22(13,4)9-18(28)16-8-20(29)30-10-16/h8,13,17-19,21,27-28H,5-7,9-12H2,1-4H3/t13-,17-,18+,19+,21-,22+,23+,24-/m1/s1
InChIKey: InChIKey=PADJBLVFSWIDDJ-HCSVJWHASA-N
Formula: C24H34O9
Molecular Weight: 466.522292
Exact Mass: 466.220283
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 (CH) | 69 |
| 2 (CH2) | 36.3 |
| 3 (CH2) | 30.6 |
| 4 (C) | 64.3 |
| 5 (C) | 45.7 |
| 6 (CH) | 71.6 |
| 7 (CH2) | 33 |
| 8 (CH) | 35.2 |
| 9 (C) | 39.4 |
| 10 (CH) | 52.2 |
| 11 (CH2) | 43.9 |
| 12 (CH) | 65 |
| 13 (C) | 175.2 |
| 14 (CH) | 113.8 |
| 15 (C) | 174.1 |
| 16 (CH2) | 71.2 |
| 17 (CH3) | 15.5 |
| 18 (CH2) | 48.7 |
| 19 (CH2) | 61.7 |
| 20 (CH3) | 17.2 |
| 6a (C) | 170.7 |
| 6b (CH3) | 21.2 |
| 19a (C) | 170.1 |
| 19b (CH3) | 21.2 |
