Spektraris NMR
Leopersin I
Common Name: Leopersin I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H28O8/c1-12(23)29-20(4)16(25)14-15-18(2,17(26)28-14)6-5-7-19(15,3)22(20)9-8-21(30-22)10-13(24)27-11-21/h14-15H,5-11H2,1-4H3/t14-,15-,18-,19-,20-,21-,22-/m0/s1
InChIKey: InChIKey=VCBMKVRJLRIJHA-WUZWVPQUSA-N
Formula: C22H28O8
Molecular Weight: 420.45377
Exact Mass: 420.178418
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tasdemir, D., Sticher, O., Calis, I., Linden, A. J Nat Prod (1997) 60, 874-9
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) | 31.2 |
| 2 (CH2) | 17.6 |
| 3 (CH2) | 29.1 |
| 4 (C) | 41.5 |
| 5 (CH) | 47.2 |
| 6 (CH) | 75.7 |
| 7 (C) | 199.4 |
| 8 (C) | 89 |
| 9 (C) | 97.5 |
| 10 (C) | 40.9 |
| 11 (CH2) | 29.5 |
| 12 (CH2) | 35.8 |
| 13 (C) | 86.4 |
| 14 (CH2) | 41.2 |
| 15 (C) | 174.2 |
| 16 (CH2) | 76 |
| 17 (CH3) | 23.5 |
| 18 (CH3) | 26.7 |
| 19 (C) | 178.9 |
| 20 (CH3) | 17.6 |
| 8a (C) | 168.5 |
| 8b (CH3) | 22.1 |
