Spektraris NMR
LS-2
Common Name: LS-2
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H28O6/c1-14-11-17(28-15(2)23)18-20(3)7-4-8-21(18,13-27-19(20)24)22(14,25)9-5-16-6-10-26-12-16/h6,10,12,17-18,25H,1,4-5,7-9,11,13H2,2-3H3/t17-,18+,20+,21-,22-/m1/s1
InChIKey: InChIKey=UVJSXDGDMYHLIG-OCFWJZSCSA-N
Formula: C22H28O6
Molecular Weight: 388.45496
Exact Mass: 388.188589
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Satoh, M., Satoh, Y., Isobe, K., Fujimoto, Y. Chem Pharm Bull (2003) 51, 341-2
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) | 31.8 |
| 2 (CH2) | 20.5 |
| 3 (CH2) | 39.8 |
| 4 (C) | 41.2 |
| 5 (CH) | 46.9 |
| 6 (CH) | 69.9 |
| 7 (CH2) | 35.7 |
| 8 (C) | 142.7 |
| 9 (C) | 76.8 |
| 10 (C) | 41.6 |
| 11 (CH2) | 30.2 |
| 12 (CH2) | 19 |
| 13 (C) | 124.3 |
| 14 (CH) | 110.6 |
| 15 (CH) | 143.3 |
| 16 (CH) | 138.7 |
| 17 (CH2) | 115 |
| 18 (CH3) | 22.5 |
| 19 (C) | 175.9 |
| 20 (CH2) | 75.2 |
| 6a (C) | 170.1 |
| 6b (CH3) | 20.9 |
