Spektraris NMR
Subergorgic acid Methyl ester
Common Name: Subergorgic acid Methyl ester
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H22O3/c1-9-7-13(17)16-10(2)11(14(18)19-4)8-15(16,3)6-5-12(9)16/h8-10,12H,5-7H2,1-4H3/t9-,10+,12+,15+,16?/m0/s1
InChIKey: InChIKey=SJNFRYWQDFKLRC-HTQCMASHSA-N
Formula: C16H22O3
Molecular Weight: 262.344686
Exact Mass: 262.156895
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) | 68.5 |
| 2 (C) | 217.8 |
| 3 (CH2) | 50 |
| 4 (CH) | 33.4 |
| 5 (CH) | 62.8 |
| 6 (CH2) | 28.4 |
| 7 (CH2) | 38.4 |
| 8 (C) | 61.7 |
| 9 (CH) | 149.6 |
| 10 (C) | 137 |
| 11 (CH) | 51.4 |
| 12 (CH3) | 20 |
| 13 (CH3) | 23.6 |
| 14 (C) | 165 |
| 15 (CH3) | 17.9 |
| 14a (CH3) | 52 |
