Spektraris NMR
Methyl 15-acetoxy-1(10)-ent-halimen-18-oate
Common Name: Methyl 15-acetoxy-1(10)-ent-halimen-18-oate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H38O4/c1-16(12-15-27-18(3)24)11-14-22(4)17(2)9-10-20-19(22)8-7-13-23(20,5)21(25)26-6/h8,16-17,20H,7,9-15H2,1-6H3/t16-,17-,20+,22+,23+/m1/s1
InChIKey: InChIKey=QRTYKWKFBWMQFE-ANWIURGTSA-N
Formula: C23H38O4
Molecular Weight: 378.546294
Exact Mass: 378.27701
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) | 119.3 |
| 2 (CH2) | 22.7 |
| 3 (CH2) | 30.6 |
| 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) | 141.4 |
| 11 (CH2) | 35.4 |
| 12 (CH2) | 30.8 |
| 13 (CH) | 30.5 |
| 14 (CH2) | 36.5 |
| 15 (CH2) | 63.1 |
| 16 (CH3) | 19.6 |
| 17 (CH3) | 15.5 |
| 18 (CH3) | 19.9 |
| 19 (C) | 178.5 |
| 20 (CH3) | 22.5 |
| 15a (C) | 171.1 |
| 15b (CH3) | 21 |
| 19a (CH3) | 51.6 |
