Spektraris NMR
Methyl 15-acetoxy-2-oxo-1(10)-ent-halimen-19-oate
Common Name: Methyl 15-acetoxy-2-oxo-1(10)-ent-halimen-19-oate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H36O5/c1-15(10-12-28-17(3)24)9-11-22(4)16(2)7-8-19-20(22)13-18(25)14-23(19,5)21(26)27-6/h13,15-16,19H,7-12,14H2,1-6H3/t15-,16-,19+,22+,23+/m1/s1
InChIKey: InChIKey=XZRDVUUQUAFZBX-FKHVVYTESA-N
Formula: C23H36O5
Molecular Weight: 392.529817
Exact Mass: 392.256274
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) | 124 |
| 2 (C) | 197.1 |
| 3 (CH2) | 43.1 |
| 4 (C) | 46.2 |
| 5 (CH) | 40.5 |
| 6 (CH2) | 23.4 |
| 7 (CH2) | 28.2 |
| 8 (CH) | 41 |
| 9 (C) | 45.2 |
| 10 (C) | 169 |
| 11 (CH2) | 35.2 |
| 12 (CH2) | 31 |
| 13 (CH) | 30.5 |
| 14 (CH2) | 36.6 |
| 15 (CH2) | 62.9 |
| 16 (CH3) | 19.5 |
| 17 (CH3) | 15.5 |
| 18 (CH3) | 21.1 |
| 19 (C) | 176.7 |
| 20 (CH3) | 21.9 |
| 15a (C) | 171 |
| 15b (CH3) | 21 |
| 19a (CH3) | 52.4 |
