Spektraris NMR
Isonerylgeraniol-18-oic acid
Common Name: Isonerylgeraniol-18-oic acid
Synonyms: Isonerylgeraniol-18-oic acid
CAS Registry Number:
InChI: InChI=1S/C20H32O3/c1-16(2)8-5-12-19(20(22)23)13-7-11-17(3)9-6-10-18(4)14-15-21/h8-9,13-14,21H,5-7,10-12,15H2,1-4H3,(H,22,23)/b17-9+,18-14+,19-13-
InChIKey: InChIKey=USXGDFAHMRCBBX-AGZUIYMTSA-N
Formula: C20H32O3
Molecular Weight: 320.467037
Exact Mass: 320.235145
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chien, S.C., Liu, H.K., Kuo, Y.H. Chem Pharm Bull (2004) 52, 762-3
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) | 59.4 |
| 2 (CH) | 123.4 |
| 3 (C) | 139.4 |
| 4 (CH2) | 25.7 |
| 5 (CH2) | 25.7 |
| 6 (CH) | 124.2 |
| 7 (C) | 134.6 |
| 8 (CH2) | 25.7 |
| 9 (CH2) | 27.8 |
| 10 (CH) | 144.7 |
| 11 (C) | 130.8 |
| 12 (CH2) | 34.6 |
| 13 (CH2) | 25.7 |
| 14 (CH) | 123.5 |
| 15 (C) | 132.2 |
| 16 (CH3) | 17.7 |
| 17 (CH3) | 16.1 |
| 18 (C) | 171.6 |
| 19 (CH3) | 16 |
| 20 (CH3) | 16 |
