Spektraris NMR
Subergorgic acid
Common Name: Subergorgic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H20O3/c1-8-6-12(16)15-9(2)10(13(17)18)7-14(15,3)5-4-11(8)15/h7-9,11H,4-6H2,1-3H3,(H,17,18)/t8-,9+,11+,14+,15?/m0/s1
InChIKey: InChIKey=LFKSRWRSZVCLFJ-IKFGPDRMSA-N
Formula: C15H20O3
Molecular Weight: 248.318068
Exact Mass: 248.141245
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wang, G.H., Ahmed, A.F., Kuo, Y.H., Sheu, J.H. J Nat Prod (2002) 65, 1033-6
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Silphiperfolianes; 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) | 68.6 |
| 2 (C) | 217.8 |
| 3 (CH2) | 49.9 |
| 4 (CH) | 33.4 |
| 5 (CH) | 62.8 |
| 6 (CH2) | 28.4 |
| 7 (CH2) | 38.3 |
| 8 (C) | 61.8 |
| 9 (CH) | 152.3 |
| 10 (C) | 136.7 |
| 11 (CH) | 51.7 |
| 12 (CH3) | 19.9 |
| 13 (CH3) | 23.4 |
| 14 (C) | 169.4 |
| 15 (CH3) | 17.7 |
