Spektraris NMR
Methyl 15-methoxy-1(10)-ent-halimen-19-oate
Common Name: Methyl 15-methoxy-1(10)-ent-halimen-19-oate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H38O3/c1-16(12-15-24-5)11-14-21(3)17(2)9-10-19-18(21)8-7-13-22(19,4)20(23)25-6/h8,16-17,19H,7,9-15H2,1-6H3/t16-,17-,19+,21+,22+/m1/s1
InChIKey: InChIKey=LRXQVKNEISJCOG-AJYQEWAOSA-N
Formula: C22H38O3
Molecular Weight: 350.536153
Exact Mass: 350.282095
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - deMendonca, D., Rodilla, J.M.L., Lithgow, A.M., Marcos, I.S. Phytochemistry (1997) 44, 1301-7
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Halimanes; 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 (CH) | 119.2 |
| 2 (CH2) | 22.7 |
| 3 (CH2) | 30.8 |
| 4 (C) | 44.8 |
| 5 (CH) | 38.2 |
| 6 (CH2) | 22.8 |
| 7 (CH2) | 28.3 |
| 8 (CH) | 38.3 |
| 9 (C) | 42.7 |
| 10 (C) | 141.5 |
| 11 (CH2) | 36.6 |
| 12 (CH2) | 31 |
| 13 (CH) | 30.4 |
| 14 (CH2) | 36.6 |
| 15 (CH2) | 71.2 |
| 16 (CH3) | 19.9 |
| 17 (CH3) | 15.6 |
| 18 (CH3) | 19.9 |
| 19 (C) | 178.6 |
| 20 (CH3) | 22.6 |
| 15a (CH3) | 51.7 |
| 19a (CH3) | 58.6 |
