Spektraris NMR
Methyl 15-Z-cinnamoyloxy-1(10)-ent-halimen-19-oate
Common Name: Methyl 15-Z-cinnamoyloxy-1(10)-ent-halimen-19-oate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H42O4/c1-22(18-21-34-27(31)16-14-24-10-7-6-8-11-24)17-20-29(3)23(2)13-15-26-25(29)12-9-19-30(26,4)28(32)33-5/h6-8,10-12,14,16,22-23,26H,9,13,15,17-21H2,1-5H3/b16-14-/t22-,23-,26+,29+,30+/m1/s1
InChIKey: InChIKey=AOGGLZPFXGSMND-JUALYPHXSA-N
Formula: C30H42O4
Molecular Weight: 466.653208
Exact Mass: 466.30831
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) | 119.4 |
| 2 (CH2) | 22.8 |
| 3 (CH2) | 30.8 |
| 4 (C) | 44.9 |
| 5 (CH) | 38.3 |
| 6 (CH2) | 22.9 |
| 7 (CH2) | 28.4 |
| 8 (CH) | 38.4 |
| 9 (C) | 42.8 |
| 10 (C) | 141.5 |
| 11 (CH2) | 35.4 |
| 12 (CH2) | 30.9 |
| 13 (CH) | 30.5 |
| 14 (CH2) | 36.5 |
| 15 (CH2) | 63.1 |
| 16 (CH3) | 19.6 |
| 17 (CH3) | 15.6 |
| 18 (CH3) | 19.9 |
| 19 (C) | 178.6 |
| 20 (CH3) | 22.6 |
| 15a (C) | 166.3 |
| 15b (CH) | 120 |
| 15c (CH) | 142.9 |
| 15d (C) | 135 |
| 15e (CH) | 128 |
| 15f (CH) | 129.6 |
| 15g (CH) | 128.9 |
| 15h (CH) | 129.6 |
| 15i (CH) | 128 |
| 19a (CH3) | 51.7 |
