Spektraris NMR
Methyl Catalpol
Common Name: Methyl Catalpol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H24O10/c1-22-12-6-2-3-23-14(8(6)16(5-18)13(12)26-16)25-15-11(21)10(20)9(19)7(4-17)24-15/h2-3,6-15,17-21H,4-5H2,1H3/t6-,7-,8-,9-,10+,11-,12+,13+,14+,15+,16-/m1/s1
InChIKey: InChIKey=CQHVYUDLQLYNAI-GSKJLTDHSA-N
Formula: C16H24O10
Molecular Weight: 376.356402
Exact Mass: 376.136947
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Gutierrez, R.M.P., Rangel, R.F., Baez, E.G. Chem Nat Compd (2008) 44, 35-8
Species:
Notes: Family : Terpenoids, Type : Monoterpenoids, Group : Iridoids; 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 (CH) | 93.73 |
| 3 (CH) | 141.37 |
| 4 (CH) | 103.58 |
| 5 (CH) | 46.78 |
| 6 (CH) | 46.28 |
| 7 (CH) | 61.97 |
| 8 (C) | 59.41 |
| 9 (CH) | 42.41 |
| 10 (CH2) | 61.97 |
| 1' (CH) | 98.44 |
| 2' (CH) | 70.84 |
| 3' (CH) | 78.13 |
| 4' (CH) | 74.05 |
| 5' (CH) | 77.02 |
| 6' (CH2) | 65.74 |
| 6a (CH3) | 52.1 |
