Spektraris NMR
lmbricatolic acid methyl ester
Common Name: lmbricatolic acid methyl ester
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H36O3/c1-15(11-14-22)7-9-17-16(2)8-10-18-20(17,3)12-6-13-21(18,4)19(23)24-5/h15,17-18,22H,2,6-14H2,1,3-5H3/t15-,17+,18-,20-,21+/m1/s1
InChIKey: InChIKey=RBLSXVITVQCZSU-APOUVHJUSA-N
Formula: C21H36O3
Molecular Weight: 336.509536
Exact Mass: 336.266445
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Su, W.C., Fang, J.M., Cheng, Y.S. Phytochemistry (1994) 37, 1109-14
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) | 39.2 |
| 2 (CH2) | 20 |
| 3 (CH2) | 38.3 |
| 4 (C) | 44.3 |
| 5 (CH) | 56.4 |
| 6 (CH2) | 26.2 |
| 7 (CH2) | 38.8 |
| 8 (C) | 148.3 |
| 9 (CH) | 56.6 |
| 10 (C) | 40.3 |
| 11 (CH2) | 21.1 |
| 12 (CH2) | 36.4 |
| 13 (CH) | 30.3 |
| 14 (CH2) | 39.6 |
| 15 (CH2) | 61.1 |
| 16 (CH3) | 19.8 |
| 17 (CH2) | 106.3 |
| 18 (CH3) | 28.8 |
| 19 (C) | 177.8 |
| 20 (CH3) | 12.5 |
| 19a (CH3) | 51.1 |
