Spektraris NMR
Elegandiol
Common Name: Elegandiol
Synonyms: Elegandiol
CAS Registry Number:
InChI: InChI=1S/C20H34O2/c1-16(2)14-20(22)15-19(5)11-7-9-17(3)8-6-10-18(4)12-13-21/h8,11-12,14,20-22H,6-7,9-10,13,15H2,1-5H3/b17-8+,18-12+,19-11+/t20-/m1/s1
InChIKey: InChIKey=QYNPSRWEKFVLRS-UYSOGGTPSA-N
Formula: C20H34O2
Molecular Weight: 306.483513
Exact Mass: 306.25588
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Culioli, G., Daoudi, M., Mesguiche, V., Valls, R., Piovetti, L. Phytochemistry (1999) 52, 1447-54
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Phytanes; 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 (CH2) | 59.3 |
| 2 (CH) | 124.3 |
| 3 (C) | 139.4 |
| 4 (CH2) | 39.5 |
| 5 (CH2) | 25.8 |
| 6 (CH) | 123.6 |
| 7 (C) | 134.8 |
| 8 (CH2) | 39.4 |
| 9 (CH2) | 26.2 |
| 10 (CH) | 127.4 |
| 11 (C) | 131.6 |
| 12 (CH2) | 48.2 |
| 13 (CH) | 65.6 |
| 14 (CH) | 128.5 |
| 15 (C) | 135 |
| 16 (CH3) | 26.4 |
| 17 (CH3) | 18.2 |
| 18 (CH3) | 16.3 |
| 19 (CH3) | 15.9 |
| 20 (CH3) | 16.2 |
