Spektraris NMR
Ajugalide-B
Common Name: Ajugalide-B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H36O10/c1-14-8-21(36-17(4)29)26(13-33-15(2)27)23(20(35-16(3)28)6-7-25(26)12-34-25)24(14,5)10-19(30)18-9-22(31)32-11-18/h9,14,19-21,23,30H,6-8,10-13H2,1-5H3/t14-,19+,20-,21+,23-,24+,25+,26-/m1/s1
InChIKey: InChIKey=MBBUQNSETPVJDQ-KOOOSSTKSA-N
Formula: C26H36O10
Molecular Weight: 508.55905
Exact Mass: 508.230847
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) | 71.7 |
| 2 (CH2) | 31.9 |
| 3 (CH2) | 30.3 |
| 4 (C) | 64.1 |
| 5 (C) | 50 |
| 6 (CH) | 71.4 |
| 7 (CH2) | 32.8 |
| 8 (CH) | 35 |
| 9 (C) | 39.3 |
| 10 (CH) | 50.8 |
| 11 (CH2) | 43.9 |
| 12 (CH) | 65.5 |
| 13 (C) | 173.1 |
| 14 (CH) | 114.5 |
| 15 (C) | 173.7 |
| 16 (CH2) | 71 |
| 17 (CH3) | 15.5 |
| 18 (CH2) | 49.2 |
| 19 (CH2) | 62.1 |
| 20 (CH3) | 17.4 |
| 1a (C) | 170.3 |
| 1b (CH3) | 22 |
| 6a (C) | 169.9 |
| 6b (CH3) | 21.1 |
| 19a (C) | 167.9 |
| 19b (CH3) | 21.1 |
