Spektraris NMR
Furolabda-7-en-20-oic acid
Common Name: Furolabda-7-en-20-oic acid
Synonyms: Furolabda-7-en-20-oic acid
CAS Registry Number:
InChI: InChI=1S/C20H28O3/c1-19(2)10-4-11-20(3)16(7-5-14-9-12-23-13-14)15(18(21)22)6-8-17(19)20/h6,9,12-13,16-17H,4-5,7-8,10-11H2,1-3H3,(H,21,22)/t16-,17-,20+/m0/s1
InChIKey: InChIKey=RJPFFVVAOWRVKZ-ABSDTBQOSA-N
Formula: C20H28O3
Molecular Weight: 316.435274
Exact Mass: 316.203845
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wachter, G.A., Montenegro, G., Timmermann, B.N. J Nat Prod (1999) 62, 307-8
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) | 39.4 |
| 2 (CH2) | 18.5 |
| 3 (CH2) | 41.9 |
| 4 (C) | 32.8 |
| 5 (CH) | 49.3 |
| 6 (CH2) | 24.3 |
| 7 (CH) | 140.7 |
| 8 (C) | 134.3 |
| 9 (CH) | 50.6 |
| 10 (C) | 36.9 |
| 11 (CH2) | 29.2 |
| 12 (CH2) | 26.5 |
| 13 (C) | 125.7 |
| 14 (CH) | 111.1 |
| 15 (CH) | 142.5 |
| 16 (CH) | 138.6 |
| 17 (C) | 173.7 |
| 18 (CH3) | 33.1 |
| 19 (CH3) | 21.9 |
| 20 (CH3) | 14.3 |
