Spektraris NMR
Alysine E
Common Name: Alysine E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H32O9/c1-13(26)32-17-6-5-16-20(3)9-7-15-8-10-30-18(15)21(20,4)24(29)19(33-14(2)27)22(16,12-31-24)23(17,28)11-25/h8,10,16-17,19,25,28-29H,5-7,9,11-12H2,1-4H3/t16-,17-,19-,20-,21-,22+,23?,24-/m1/s1
InChIKey: InChIKey=RGYXCTPFDZYGDY-FESNBDEWSA-N
Formula: C24H32O9
Molecular Weight: 464.50641
Exact Mass: 464.204633
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) | 75.3 |
| 4 (C) | 75.1 |
| 5 (C) | 41.8 |
| 6 (CH) | 75.4 |
| 7 (C) | 106.6 |
| 8 (C) | 51.6 |
| 9 (C) | 48.1 |
| 10 (CH) | 41.8 |
| 11 (CH2) | 18.6 |
| 12 (CH2) | 29.6 |
| 13 (C) | 115.7 |
| 14 (C) | 154.2 |
| 15 (CH) | 109.1 |
| 16 (CH) | 141.9 |
| 17 (CH3) | 17.2 |
| 18 (CH2) | 66.4 |
| 19 (CH2) | 66.4 |
| 20 (CH3) | 20.2 |
| 3a (C) | 170.6 |
| 3b (CH3) | 21.2 |
| 6a (C) | 171.2 |
| 6b (CH3) | 20.2 |
