Spektraris NMR
12,15-Epoxylabda-8(20),13-dien-18-oic acid
Common Name: 12,15-Epoxylabda-8(20),13-dien-18-oic acid
Synonyms: 12,15-Epoxylabda-8(20),13-dien-18-oic acid
CAS Registry Number:
InChI: InChI=1S/C20H30O3/c1-13-6-7-17-19(3,9-5-10-20(17,4)18(21)22)15(13)12-16-14(2)8-11-23-16/h8,15-17H,1,5-7,9-12H2,2-4H3,(H,21,22)/t15-,16?,17+,19+,20+/m0/s1
InChIKey: InChIKey=FOFOBMPUEROEKT-TYCHOANJSA-N
Formula: C20H30O3
Molecular Weight: 318.451155
Exact Mass: 318.219495
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Li, Y.C., Kuo, Y.H. Chem Pharm Bull (2002) 50, 498-500
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) | 37.6 |
| 2 (CH2) | 18.3 |
| 3 (CH2) | 36.9 |
| 4 (C) | 47.5 |
| 5 (CH) | 49.2 |
| 6 (CH2) | 26.7 |
| 7 (CH2) | 37.6 |
| 8 (C) | 148.5 |
| 9 (CH) | 51.8 |
| 10 (C) | 38.6 |
| 11 (CH2) | 25 |
| 12 (CH) | 80.3 |
| 13 (C) | 135 |
| 14 (CH) | 118.3 |
| 15 (CH2) | 69.8 |
| 16 (CH3) | 19.1 |
| 17 (CH2) | 106.7 |
| 18 (C) | 184.1 |
| 19 (CH3) | 16.3 |
| 20 (CH3) | 14.9 |
