Spektraris NMR
Polyalthic acid
Common Name: Polyalthic acid
Synonyms: Polyalthic acid
CAS Registry Number:
InChI: InChI=1S/C20H28O3/c1-14-5-8-17-19(2,10-4-11-20(17,3)18(21)22)16(14)7-6-15-9-12-23-13-15/h9,12-13,16-17H,1,4-8,10-11H2,2-3H3,(H,21,22)/t16-,17+,19+,20+/m1/s1
InChIKey: InChIKey=ZQHJXKYYELWEOK-UMGGQSCQSA-N
Formula: C20H28O3
Molecular Weight: 316.435274
Exact Mass: 316.203845
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Carreras, C.R., Rossomando, P.C., Giordano, O.S. Phytochemistry (1998) 48, 1031-4
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) | 37.7 |
| 2 (CH2) | 18.2 |
| 3 (CH2) | 36.9 |
| 4 (C) | 47.3 |
| 5 (CH) | 49.3 |
| 6 (CH2) | 26.6 |
| 7 (CH2) | 37.6 |
| 8 (C) | 147.5 |
| 9 (CH) | 55.9 |
| 10 (C) | 38.6 |
| 11 (CH2) | 23.3 |
| 12 (CH2) | 23.8 |
| 13 (C) | 125.2 |
| 14 (CH) | 110.7 |
| 15 (CH) | 142.4 |
| 16 (CH) | 138.4 |
| 17 (CH2) | 106.8 |
| 18 (C) | 185.5 |
| 19 (CH3) | 16.1 |
| 20 (CH3) | 14.5 |
