Spektraris NMR
Pinnatin D
Common Name: Pinnatin D
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/h7-8,13-14,16,18,23H,1,5-6,9H2,2-4H3/b11-7-/t13-,14-,16+,18-,20+/m0/s1
InChIKey: InChIKey=YLQIJBIUALFEAE-MDHWBGDESA-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) | 46.4 |
| 2 (CH) | 78.3 |
| 3 (C) | 206.9 |
| 4 (C) | 139.2 |
| 5 (CH) | 141.9 |
| 6 (C) | 196.8 |
| 7 (CH) | 30.9 |
| 8 (C) | 32.8 |
| 9 (CH2) | 18.2 |
| 10 (CH) | 83.2 |
| 11 (CH) | 138.9 |
| 12 (C) | 144 |
| 13 (CH2) | 20.7 |
| 14 (CH2) | 29.7 |
| 15 (C) | 142.7 |
| 16 (CH2) | 115.8 |
| 17 (CH3) | 18.2 |
| 18 (CH3) | 21.6 |
| 19 (CH3) | 15.7 |
| 20 (C) | 173.8 |
