Spektraris NMR
Pinnatin E
Common Name: Pinnatin E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H24O5/c1-10(2)13-6-5-12-8-16(25-19(12)24)20(4)9-14(20)15(21)7-11(3)17(22)18(13)23/h7-8,13-14,16-17,22H,1,5-6,9H2,2-4H3/b11-7-/t13-,14-,16+,17-,20+/m0/s1
InChIKey: InChIKey=PCTOPLUNRDRIQE-VVUGHBLUSA-N
Formula: C20H24O5
Molecular Weight: 344.402321
Exact Mass: 344.162374
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rodriguez, A.D., Shi, J., Huang, S.D. J Org Chem (1998) 63, 4425-32
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Gersolanes; 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) | 51.4 |
| 2 (C) | 208.1 |
| 3 (CH) | 75.2 |
| 4 (C) | 142.8 |
| 5 (CH) | 134.8 |
| 6 (C) | 197.8 |
| 7 (CH) | 30 |
| 8 (C) | 36.7 |
| 9 (CH2) | 20.3 |
| 10 (CH) | 83.5 |
| 11 (CH) | 146.4 |
| 12 (C) | 138.8 |
| 13 (CH2) | 19.9 |
| 14 (CH2) | 33.4 |
| 15 (C) | 138.4 |
| 16 (CH2) | 118.1 |
| 17 (CH3) | 19.9 |
| 18 (CH3) | 19.3 |
| 19 (CH3) | 15.2 |
| 20 (C) | 172.5 |
