Spektraris NMR
Acetic acid (3E,7E)-1,5,9-trimethyl-1-ethenyl-5,9-dihydroxy-3,7-decadienyl ester
Common Name: Acetic acid (3E,7E)-1,5,9-trimethyl-1-ethenyl-5,9-dihydroxy-3,7-decadienyl ester
Synonyms: Acetic acid (3E,7E)-1,5,9-trimethyl-1-ethenyl-5,9-dihydroxy-3,7-decadienyl ester
CAS Registry Number:
InChI: InChI=1S/C17H28O4/c1-7-17(6,21-14(2)18)13-9-12-16(5,20)11-8-10-15(3,4)19/h7-10,12,19-20H,1,11,13H2,2-6H3/b10-8+,12-9+
InChIKey: InChIKey=KEOZMYSUURPXRP-AXDLQRQNSA-N
Formula: C17H28O4
Molecular Weight: 296.402471
Exact Mass: 296.198759
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Geis, W., Becker, H. Phytochemistry (2000) 53, 247-52
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Farnesanes; 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) | 113.5 |
| 2 (CH) | 141.5 |
| 3 (C) | 82.2 |
| 4 (CH2) | 42.2 |
| 5 (CH) | 122.2 |
| 6 (CH) | 140.9 |
| 7 (C) | 72.2 |
| 8 (CH2) | 45.5 |
| 9 (CH) | 121.9 |
| 10 (CH) | 142.6 |
| 11 (C) | 70.6 |
| 12 (CH3) | 29.9 |
| 13 (CH3) | 29.9 |
| 14 (CH3) | 27.9 |
| 15 (CH3) | 23.7 |
| 3a (C) | 169.9 |
| 3b (CH3) | 22.1 |
