Spektraris NMR
(-)-Leosibiricin
Common Name: (-)-Leosibiricin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H28O7/c1-13(23)28-20(4)16(24)14-15-18(2,17(25)27-14)6-5-7-19(15,3)22(20)9-8-21(29-22)10-11-26-12-21/h10-11,14-15H,5-9,12H2,1-4H3/t14-,15-,18-,19-,20-,21-,22-/m0/s1
InChIKey: InChIKey=NEDHMGGDODFBIE-WUZWVPQUSA-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., 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) | 30.9 |
| 2 (CH2) | 17.7 |
| 3 (CH2) | 29.1 |
| 4 (C) | 41.5 |
| 5 (CH) | 47 |
| 6 (CH) | 76 |
| 7 (C) | 200.2 |
| 8 (C) | 89.5 |
| 9 (C) | 96.2 |
| 10 (C) | 40.8 |
| 11 (CH2) | 29.6 |
| 12 (CH2) | 36.2 |
| 13 (C) | 93.1 |
| 14 (CH) | 105.8 |
| 15 (CH) | 148.9 |
| 16 (CH2) | 77.5 |
| 17 (CH3) | 23.6 |
| 18 (CH3) | 26.5 |
| 19 (C) | 179.3 |
| 20 (CH3) | 17.5 |
| 8a (C) | 168.7 |
| 8b (CH3) | 22 |
