Spektraris NMR
(S)-12-Hydroxygeranylgeranic acid
Common Name: (S)-12-Hydroxygeranylgeranic acid
Synonyms: (S)-12-Hydroxygeranylgeranic acid
CAS Registry Number:
InChI: InChI=1S/C20H32O3/c1-15(2)12-13-19(21)18(5)11-7-9-16(3)8-6-10-17(4)14-20(22)23/h8,11-12,14,19,21H,6-7,9-10,13H2,1-5H3,(H,22,23)/b16-8+,17-14+,18-11+/t19-/m0/s1
InChIKey: InChIKey=WUTNFDVILUENNQ-HBSSDYDPSA-N
Formula: C20H32O3
Molecular Weight: 320.467037
Exact Mass: 320.235145
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Culioli, G., Daoudi, M., Ortalo-Magne, A., Valls, R., Piovetti, L. Phytochemistry (2001) 57, 529-35
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 (C) | 171.3 |
| 2 (CH) | 115.2 |
| 3 (C) | 162.4 |
| 4 (CH2) | 41.1 |
| 5 (CH2) | 26.1 |
| 6 (CH) | 122.9 |
| 7 (C) | 136 |
| 8 (CH2) | 39.2 |
| 9 (CH2) | 25.9 |
| 10 (CH) | 125.9 |
| 11 (C) | 136.7 |
| 12 (CH) | 77.3 |
| 13 (CH2) | 34.2 |
| 14 (CH) | 120.2 |
| 15 (C) | 134.4 |
| 16 (CH3) | 25.8 |
| 17 (CH3) | 17.9 |
| 18 (CH3) | 19.1 |
| 19 (CH3) | 16 |
| 20 (CH3) | 11.6 |
