Spektraris NMR
Isocostic acid
Common Name: Isocostic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H22O2/c1-10-5-4-7-15(3)8-6-12(9-13(10)15)11(2)14(16)17/h5,12-13H,2,4,6-9H2,1,3H3,(H,16,17)/t12-,13+,15-/m1/s1
InChIKey: InChIKey=UTXMCYDEIZPGME-VNHYZAJKSA-N
Formula: C15H22O2
Molecular Weight: 234.334545
Exact Mass: 234.16198
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Fontana, G., La Rocca, S., Passannanti, S., Paternostro, M.P. Nat Prod Res (2007) 21, 824-7
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eudesmanes; 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) | 27.3 |
| 2 (CH2) | 22.8 |
| 3 (CH) | 121 |
| 4 (C) | 134.6 |
| 5 (CH) | 46.7 |
| 6 (CH2) | 40 |
| 7 (CH) | 40.1 |
| 8 (CH2) | 37.7 |
| 9 (CH2) | 29.3 |
| 10 (C) | 32.2 |
| 11 (C) | 145.1 |
| 12 (CH2) | 125 |
| 13 (C) | 172 |
| 14 (CH3) | 15.5 |
| 15 (CH3) | 21 |
