Spektraris NMR
Sesquiterpene Cz-IIIb
Common Name: Sesquiterpene Cz-IIIb
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H20O7/c1-9(2)17(22)25-14-7-19(4)15(21)6-12(26-19)11(8-20)5-13-16(14)10(3)18(23)24-13/h5-6,13-14,16,20H,1,3,7-8H2,2,4H3/b11-5-/t13-,14-,16?,19-/m1/s1
InChIKey: InChIKey=HTMCLLSRQWRPTN-BQTDEUEMSA-N
Formula: C19H20O7
Molecular Weight: 360.358632
Exact Mass: 360.120903
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Herz, W., Kumar, N. Phytochemistry (1980) 19, 593
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Germacranes; 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) | 205.4 |
| 2 (CH) | 104.9 |
| 3 (C) | 182.8 |
| 4 (C) | 138.9 |
| 5 (CH) | 133.8 |
| 6 (CH) | 75.2 |
| 7 (CH) | 48.2 |
| 8 (CH) | 74.9 |
| 9 (CH2) | 42.6 |
| 10 (C) | 88 |
| 11 (C) | 136 |
| 12 (C) | 168.9 |
| 13 (CH2) | 123.4 |
| 14 (CH3) | 21.3 |
| 15 (CH2) | 62.3 |
| 8a (C) | 165.4 |
| 8b (C) | 134.5 |
| 8c (CH2) | 127.3 |
| 8d (CH3) | 18.2 |
