Spektraris NMR
(S)-12-hydroxygeranylgeranic acid Methyl ester
Common Name: (S)-12-hydroxygeranylgeranic acid Methyl ester
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H34O3/c1-16(2)13-14-20(22)19(5)12-8-10-17(3)9-7-11-18(4)15-21(23)24-6/h9,12-13,15,20,22H,7-8,10-11,14H2,1-6H3/b17-9+,18-15+,19-12+/t20-/m0/s1
InChIKey: InChIKey=HCXCHLMRBYGRPU-HMONXFHISA-N
Formula: C21H34O3
Molecular Weight: 334.493654
Exact Mass: 334.250795
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) | 167.2 |
| 2 (CH) | 115.3 |
| 3 (C) | 159.9 |
| 4 (CH2) | 40.8 |
| 5 (CH2) | 26.1 |
| 6 (CH) | 123 |
| 7 (C) | 135.9 |
| 8 (CH2) | 39.2 |
| 9 (CH2) | 25.9 |
| 10 (CH) | 125.8 |
| 11 (C) | 136.9 |
| 12 (CH) | 77.2 |
| 13 (CH2) | 34.2 |
| 14 (CH) | 120.3 |
| 15 (C) | 134.1 |
| 16 (CH3) | 25.8 |
| 17 (CH3) | 17.9 |
| 18 (CH3) | 11.5 |
| 19 (CH3) | 15.9 |
| 20 (CH3) | 18.7 |
| 1b (CH3) | 50.7 |
