Spektraris NMR
Pinnatin A
Common Name: Pinnatin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H24O4/c1-10(2)13-6-5-12-8-16(24-19(12)22)20(4)9-14(20)15-7-11(3)18(23-15)17(13)21/h7-8,13-14,16-17,21H,1,5-6,9H2,2-4H3/t13-,14-,16+,17+,20+/m0/s1
InChIKey: InChIKey=RJNSMAYIYZNIMV-CZQHIENXSA-N
Formula: C20H24O4
Molecular Weight: 328.402916
Exact Mass: 328.167459
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) | 50.6 |
| 2 (CH) | 66.7 |
| 3 (C) | 150.2 |
| 4 (C) | 116.9 |
| 5 (CH) | 109.1 |
| 6 (C) | 151.2 |
| 7 (CH) | 18.3 |
| 8 (C) | 22.5 |
| 9 (CH2) | 22.1 |
| 10 (CH) | 81 |
| 11 (CH) | 152.9 |
| 12 (C) | 130.6 |
| 13 (CH2) | 20.8 |
| 14 (CH2) | 26.1 |
| 15 (C) | 146.2 |
| 16 (CH2) | 112.8 |
| 17 (CH3) | 19.9 |
| 18 (CH3) | 9.6 |
| 19 (CH3) | 13.6 |
| 20 (C) | 174.9 |
