Spektraris NMR
Kallosin A
Common Name: Kallosin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H24O5/c1-10(2)13-7-6-12-8-14(24-18(12)22)16(11(3)4)15-9-20(5,17(13)21)19(23)25-15/h8-9,13-14,16-17,21H,1,3,6-7H2,2,4-5H3/t13-,14+,16+,17-,20-/m0/s1
InChIKey: InChIKey=QFEYDWNEIMUBOK-YTRSDULBSA-N
Formula: C20H24O5
Molecular Weight: 344.402321
Exact Mass: 344.162374
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Marrero, J., Rodriguez, A.D., Baran, P., Raptis, R.G. J Org Chem (2003) 68, 4977-9
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Pseudopteranes; 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 (CH) | 50.7 |
| 2 (CH) | 73.3 |
| 3 (C) | 53.2 |
| 4 (CH) | 111.8 |
| 5 (C) | 149.3 |
| 6 (CH) | 49.2 |
| 7 (CH) | 79.3 |
| 8 (CH) | 147.8 |
| 9 (C) | 137.3 |
| 10 (CH2) | 21.3 |
| 11 (CH2) | 31.6 |
| 12 (C) | 143 |
| 13 (CH2) | 119.3 |
| 14 (CH3) | 17 |
| 15 (C) | 180.4 |
| 16 (CH3) | 23.6 |
| 17 (C) | 138.6 |
| 18 (CH2) | 115.6 |
| 19 (CH3) | 22.7 |
| 20 (C) | 174.9 |
