Spektraris NMR
Methyl 2,15-diacetoxy-1(10)-ent-halimen-19-oate
Common Name: Methyl 2,15-diacetoxy-1(10)-ent-halimen-19-oate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H40O6/c1-16(11-13-30-18(3)26)10-12-24(5)17(2)8-9-21-22(24)14-20(31-19(4)27)15-25(21,6)23(28)29-7/h14,16-17,20-21H,8-13,15H2,1-7H3/t16-,17-,20?,21+,24+,25+/m1/s1
InChIKey: InChIKey=FTDJDSZKDUKGMD-WDRDJMCQSA-N
Formula: C25H40O6
Molecular Weight: 436.582457
Exact Mass: 436.282489
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) | 119.9 |
| 2 (CH) | 69.1 |
| 3 (CH2) | 33.5 |
| 4 (C) | 44.7 |
| 5 (CH) | 38.2 |
| 6 (CH2) | 23.7 |
| 7 (CH2) | 28.8 |
| 8 (CH) | 39.4 |
| 9 (C) | 43.4 |
| 10 (C) | 147 |
| 11 (CH2) | 35.3 |
| 12 (CH2) | 30.8 |
| 13 (CH) | 30.6 |
| 14 (CH2) | 36.2 |
| 15 (CH2) | 63.1 |
| 16 (CH3) | 19.6 |
| 17 (CH3) | 15.5 |
| 18 (CH3) | 21.9 |
| 19 (C) | 177.3 |
| 20 (CH3) | 23.6 |
| 2a (C) | 171.2 |
| 2b (CH3) | 21 |
| 15a (C) | 170.8 |
| 15b (CH3) | 21.5 |
| 19a (CH3) | 52 |
