Spektraris NMR
Alysine D
Common Name: Alysine D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H28O7/c1-12(23)29-15-5-4-14-18(2)8-6-13-7-9-26-16(13)19(18,3)22(25)17(24)20(14,10-28-22)21(15)11-27-21/h7,9,14-15,17,24-25H,4-6,8,10-11H2,1-3H3/t14-,15-,17-,18-,19-,20+,21-,22-/m1/s1
InChIKey: InChIKey=RHJZNBYYAGFXDR-UEJSVRJISA-N
Formula: C22H28O7
Molecular Weight: 404.454365
Exact Mass: 404.183503
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Topcu, G., Eris, C., Ulubelen, A. J Nat Prod (1997) 60, 1045-7
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 (CH2) | 18.6 |
| 2 (CH2) | 32.9 |
| 3 (CH) | 75.1 |
| 4 (C) | 62.3 |
| 5 (C) | 42.1 |
| 6 (CH) | 75.4 |
| 7 (C) | 106.6 |
| 8 (C) | 51.6 |
| 9 (C) | 48.1 |
| 10 (CH) | 42.1 |
| 11 (CH2) | 18.6 |
| 12 (CH2) | 29.1 |
| 13 (C) | 115.7 |
| 14 (C) | 154.1 |
| 15 (CH) | 109.5 |
| 16 (CH) | 141.9 |
| 17 (CH3) | 17.1 |
| 18 (CH2) | 49.9 |
| 19 (CH2) | 66.7 |
| 20 (CH3) | 20.2 |
| 3a (C) | 169.6 |
| 3b (CH3) | 21.2 |
