Spektraris NMR
Leopersin E
Common Name: Leopersin E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H28O7/c1-13(23)29-21(4)17(24)15-16-19(2,18(25)28-15)8-5-9-20(16,3)22(21,26)10-6-14-7-11-27-12-14/h7,11-12,15-16,26H,5-6,8-10H2,1-4H3/t15-,16-,19-,20-,21-,22-/m0/s1
InChIKey: InChIKey=PHOWZNFLUQUNMX-VWCSCAALSA-N
Formula: C22H28O7
Molecular Weight: 404.454365
Exact Mass: 404.183503
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tasdemir, D., Wright, A.D., Sticher, O., Calis, I. J Nat Prod (1996) 59, 131-4
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) | 30.1 |
| 2 (CH2) | 17.8 |
| 3 (CH2) | 29 |
| 4 (C) | 41.5 |
| 5 (CH) | 45.6 |
| 6 (CH) | 76 |
| 7 (C) | 200.5 |
| 8 (C) | 90.3 |
| 9 (C) | 84.6 |
| 10 (C) | 42.1 |
| 11 (CH2) | 32.6 |
| 12 (CH2) | 20 |
| 13 (C) | 124.6 |
| 14 (CH) | 110.5 |
| 15 (CH) | 143.4 |
| 16 (CH) | 138.6 |
| 17 (CH3) | 22 |
| 18 (CH3) | 26.6 |
| 19 (C) | 179.6 |
| 20 (CH3) | 17.1 |
| 8a (C) | 168.9 |
| 8b (CH3) | 22.3 |
