Spektraris NMR
Methyl-15-tetrahydropyranyloxy-ent-halima-1(10),13E-dien-18-oate
Common Name: Methyl-15-tetrahydropyranyloxy-ent-halima-1(10),13E-dien-18-oate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H42O4/c1-19(14-18-30-23-10-6-7-17-29-23)13-16-25(3)20(2)11-12-22-21(25)9-8-15-26(22,4)24(27)28-5/h9,14,20,22-23H,6-8,10-13,15-18H2,1-5H3/b19-14+/t20-,22+,23?,25+,26+/m1/s1
InChIKey: InChIKey=XKEDNWCXJKBYMV-ZQDMEFFWSA-N
Formula: C26H42O4
Molecular Weight: 418.610265
Exact Mass: 418.30831
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Marcos, I.S., Garcia, N., Sexmero, M.J., Basabe, P., Diez, D., Urones, J.G. Tetrahedron (2005) 61, 11672-8
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) | 119.6 |
| 2 (CH2) | 22.9 |
| 3 (CH2) | 30.7 |
| 4 (C) | 44.9 |
| 5 (CH) | 38.4 |
| 6 (CH2) | 22.9 |
| 7 (CH2) | 28.3 |
| 8 (CH) | 38.4 |
| 9 (C) | 42.8 |
| 10 (C) | 141.3 |
| 11 (CH2) | 37.7 |
| 12 (CH2) | 34 |
| 13 (C) | 141.3 |
| 14 (CH) | 120.1 |
| 15 (CH2) | 63.8 |
| 16 (CH3) | 16.7 |
| 17 (CH3) | 15.5 |
| 18 (C) | 178.4 |
| 19 (CH3) | 19.6 |
| 20 (CH3) | 22.4 |
| 1' (CH) | 97.9 |
| 2' (CH2) | 30.7 |
| 3' (CH2) | 25.5 |
| 4' (CH2) | 19.7 |
| 5' (CH2) | 62.2 |
| 18a (CH3) | 51.6 |
