Spektraris NMR
Galeopsin
Common Name: Galeopsin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H32O5/c1-15(23)27-21(5)18(24)13-17-19(2,3)9-6-10-20(17,4)22(21,25)11-7-16-8-12-26-14-16/h8,12,14,17,25H,6-7,9-11,13H2,1-5H3/t17-,20-,21-,22-/m0/s1
InChIKey: InChIKey=CVAJBQDXBZONMK-MQGJPIDWSA-N
Formula: C22H32O5
Molecular Weight: 376.487318
Exact Mass: 376.224974
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tasdemir, D., Wright, A.D., Sticher, O., Calis, I., Linden, A. J Nat Prod (1995) 58, 1543-54
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) | 32 |
| 2 (CH2) | 17.7 |
| 3 (CH2) | 41 |
| 4 (C) | 34.2 |
| 5 (CH) | 49.5 |
| 6 (CH2) | 35.9 |
| 7 (C) | 207.2 |
| 8 (C) | 88.4 |
| 9 (C) | 81.9 |
| 10 (C) | 44.5 |
| 11 (CH2) | 30.6 |
| 12 (CH2) | 21 |
| 13 (C) | 124.7 |
| 14 (CH) | 110.7 |
| 15 (CH) | 142.9 |
| 16 (CH) | 138.6 |
| 17 (CH3) | 15 |
| 18 (CH3) | 32.9 |
| 19 (CH3) | 21.4 |
| 20 (CH3) | 16.5 |
| 8a (C) | 169.1 |
| 8b (CH3) | 21.3 |
