Spektraris NMR
Coeloic acid
Common Name: Coeloic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O5/c1-12-7-8-14-19(4,15(12)16(22)25-6)10-9-13(18(2,3)11-21)20(14,5)17(23)24/h11,13-15H,1,7-10H2,2-6H3,(H,23,24)/t13-,14-,15-,19+,20-/m0/s1
InChIKey: InChIKey=KFYJZWWYZBXOMJ-HQNIOCCESA-N
Formula: C20H30O5
Molecular Weight: 350.449965
Exact Mass: 350.209324
NMR Solvent: C6D6
MHz:
Calibration:
NMR references: 13C - Fattorusso, E., Romano, A., Scafati, O.T., Bavestrello, G., Bonelli, P., Calcinai, B. Tetrahedron Lett (2006) 47, 2197-200
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Isocopalanes; 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) | 182 |
| 3 (CH) | 204.3 |
| 4 (C) | 58.4 |
| 5 (CH) | 49.2 |
| 6 (CH2) | 21 |
| 7 (CH2) | 38.9 |
| 8 (C) | 39.4 |
| 9 (CH) | 53.1 |
| 10 (C) | 51 |
| 11 (CH2) | 24.4 |
| 12 (CH2) | 36.9 |
| 13 (C) | 143.7 |
| 14 (CH) | 63.7 |
| 15 (C) | 172 |
| 16 (CH2) | 109.9 |
| 17 (CH3) | 16.1 |
| 18 (CH3) | 23.2 |
| 19 (CH3) | 33 |
| 20 (CH3) | 19.5 |
| 15a (CH3) | 51.5 |
