Spektraris NMR
Ajugadecumbenins A
Common Name: Ajugadecumbenins A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H34O8/c1-14-8-20(27)24(13-30-15(2)25)19(6-5-7-23(24)12-31-23)22(14,4)10-18(32-16(3)26)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=ALSZHHMKDXFNLU-VQSMGOMNSA-N
Formula: C24H34O8
Molecular Weight: 450.522887
Exact Mass: 450.225368
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Huang, X.C., Qin, S., Guo, Y.W., Krohn, K. Helv Chim Acta (2008) 91, 628-34
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) | 21.2 |
| 2 (CH2) | 24.8 |
| 3 (CH2) | 31.8 |
| 4 (C) | 66.7 |
| 5 (C) | 45.3 |
| 6 (CH) | 73 |
| 7 (CH2) | 33.7 |
| 8 (CH) | 35.2 |
| 9 (C) | 39.5 |
| 10 (CH) | 47.8 |
| 11 (CH2) | 40.7 |
| 12 (CH) | 66.3 |
| 13 (C) | 168.2 |
| 14 (CH) | 116 |
| 15 (C) | 172.3 |
| 16 (CH2) | 70.3 |
| 17 (CH3) | 15.5 |
| 18 (CH2) | 48.3 |
| 19 (CH2) | 61.8 |
| 20 (CH3) | 17.3 |
| 12a (C) | 169.5 |
| 12b (CH3) | 20.9 |
| 19a (C) | 171 |
| 19b (CH3) | 21.1 |
