Spektraris NMR
Pachyphyllone
Common Name: Pachyphyllone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O3/c1-12(2)13-10-20-9-6-14-18(3,4)7-5-8-19(14,11-23-20)17(20)16(22)15(13)21/h10,12,14,22H,5-9,11H2,1-4H3/t14-,19+,20?/m0/s1
InChIKey: InChIKey=UXYAZXBEJDOGCG-JUPPYLHDSA-N
Formula: C20H28O3
Molecular Weight: 316.435274
Exact Mass: 316.203845
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Guerrero, I.C., Andres, L.S., Leon, L.G., Machin, R.P., Padron, J.M., Luis, J.G., Delgadillo, J. J Nat Prod (2006) 69, 1803-5
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Abietanes; 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) | 31.3 |
| 2 (CH2) | 19.9 |
| 3 (CH2) | 41.8 |
| 4 (C) | 33.9 |
| 5 (CH) | 50.3 |
| 6 (CH2) | 20.1 |
| 7 (CH2) | 41.9 |
| 8 (C) | 79 |
| 9 (C) | 136.7 |
| 10 (C) | 48.8 |
| 11 (C) | 142.8 |
| 12 (C) | 182.5 |
| 13 (C) | 142.2 |
| 14 (CH) | 142.8 |
| 15 (CH) | 26.9 |
| 16 (CH3) | 21.8 |
| 17 (CH3) | 21.2 |
| 18 (CH3) | 32.9 |
| 19 (CH3) | 22 |
| 20 (CH2) | 78.3 |
