Spektraris NMR
14,15-Dehydroajugareptansin
Common Name: 14,15-Dehydroajugareptansin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H44O10/c1-7-15(2)25(33)38-20-12-21(32)29(14-36-29)28(13-35-17(4)30)23(37-18(5)31)10-16(3)27(6,24(20)28)22-11-19-8-9-34-26(19)39-22/h15-16,19-24,26,32H,7-14H2,1-6H3/t15?,16-,19-,20-,21+,22+,23+,24-,26+,27-,28-,29-/m1/s1
InChIKey: InChIKey=YKWBDFBNTYGFFZ-HFWQVNANSA-N
Formula: C29H44O10
Molecular Weight: 552.654783
Exact Mass: 552.293448
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Bremner, P.D., Simmonds, M.S.J., Blaney, W.M., Veitch, N.C. Phytochemistry (1998) 47, 1227-32
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) | 69.3 |
| 2 (CH2) | 33.9 |
| 3 (CH) | 63.6 |
| 4 (C) | 66.6 |
| 5 (C) | 44.7 |
| 6 (CH) | 71.4 |
| 7 (CH2) | 32.5 |
| 8 (CH) | 33.3 |
| 9 (C) | 40.7 |
| 10 (CH) | 51.7 |
| 11 (CH) | 83.3 |
| 12 (CH2) | 38.1 |
| 13 (CH) | 46 |
| 14 (CH2) | 101.8 |
| 15 (CH2) | 146.6 |
| 16 (CH) | 108.2 |
| 17 (CH3) | 15.8 |
| 18 (CH2) | 43.3 |
| 19 (CH2) | 61.3 |
| 20 (CH3) | 19 |
| 1a (C) | 175.5 |
| 1b (CH) | 40.9 |
| 1c (CH2) | 26.9 |
| 1d (CH3) | 11.3 |
| 1ba (CH3) | 14.4 |
| 6a (C) | 169.7 |
| 6b (CH3) | 21 |
| 19a (C) | 170.2 |
| 19b (CH3) | 21 |
