Spektraris NMR
15-Tetrahydropyranyloxy-ent-halima-1(10),13E-diene
Common Name: 15-Tetrahydropyranyloxy-ent-halima-1(10),13E-diene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H42O2/c1-19(14-18-27-23-10-6-7-17-26-23)13-16-25(5)20(2)11-12-21-22(25)9-8-15-24(21,3)4/h9,14,20-21,23H,6-8,10-13,15-18H2,1-5H3/b19-14+/t20-,21+,23?,25+/m1/s1
InChIKey: InChIKey=ZYLDWOSDDMYRGO-AFPSKSHTSA-N
Formula: C25H42O2
Molecular Weight: 374.600719
Exact Mass: 374.318481
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) | 119.8 |
| 2 (CH2) | 23.4 |
| 3 (CH2) | 33.5 |
| 4 (C) | 31.6 |
| 5 (CH) | 43.6 |
| 6 (CH2) | 23.9 |
| 7 (CH2) | 29.4 |
| 8 (CH) | 39.4 |
| 9 (C) | 43.1 |
| 10 (C) | 141.7 |
| 11 (CH2) | 37.7 |
| 12 (CH2) | 34.5 |
| 13 (C) | 141.4 |
| 14 (CH) | 120.2 |
| 15 (CH2) | 63.9 |
| 16 (CH3) | 16.9 |
| 17 (CH3) | 15.9 |
| 18 (CH3) | 26.3 |
| 19 (CH3) | 28.4 |
| 20 (CH3) | 22.6 |
| 1' (CH) | 97.9 |
| 2' (CH2) | 31 |
| 3' (CH2) | 25.8 |
| 4' (CH2) | 19.9 |
| 5' (CH2) | 62.3 |
