Spektraris NMR
15-Acetoxy-1(10)-ent-halimen-19,2β-olide
Common Name: 15-Acetoxy-1(10)-ent-halimen-19,2β-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H34O4/c1-14(9-11-25-16(3)23)8-10-21(4)15(2)6-7-18-19(21)12-17-13-22(18,5)20(24)26-17/h12,14-15,17-18H,6-11,13H2,1-5H3/t14-,15-,17+,18+,21+,22+/m1/s1
InChIKey: InChIKey=LXCVGCVXRUEODC-GIWDSIGISA-N
Formula: C22H34O4
Molecular Weight: 362.503795
Exact Mass: 362.24571
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) | 122.8 |
| 2 (CH) | 72.2 |
| 3 (CH2) | 37.4 |
| 4 (C) | 44.7 |
| 5 (CH) | 41.2 |
| 6 (CH2) | 22.3 |
| 7 (CH2) | 28.1 |
| 8 (CH) | 38.8 |
| 9 (C) | 42.6 |
| 10 (C) | 149.6 |
| 11 (CH2) | 35.3 |
| 12 (CH2) | 30.7 |
| 13 (CH) | 30.2 |
| 14 (CH2) | 35.5 |
| 15 (CH2) | 63 |
| 16 (CH3) | 19.1 |
| 17 (CH3) | 15.3 |
| 18 (CH3) | 19.5 |
| 19 (C) | 181.9 |
| 20 (CH3) | 21.8 |
| 15a (C) | 171.2 |
| 15b (CH3) | 21 |
