Spektraris NMR
ZINC106611840
Common Name: ZINC106611840
Synonyms: ZINC106611840
CAS Registry Number:
InChI: InChI=1S/C20H26O6/c1-12(2)7-18(23)25-16-8-14(10-21)5-4-6-15(11-22)9-17-19(16)13(3)20(24)26-17/h5,9-10,12,16-17,19,22H,3-4,6-8,11H2,1-2H3/b14-5+,15-9-/t16-,17-,19-/m1/s1
InChIKey: InChIKey=XZPCFZLGAZNCOI-HNBQCNRESA-N
Formula: C20H26O6
Molecular Weight: 362.417607
Exact Mass: 362.172939
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Cartagena, E., Bardon, A., Catalan, C.A., de Hernandez, Z.N., Hernandez, L.R., Joseph-Nathan, P. J Nat Prod (2000) 63, 1323-8
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 (CH) | 153.8 |
| 2 (CH2) | 27 |
| 3 (CH2) | 32.6 |
| 4 (C) | 140.4 |
| 5 (CH) | 128.4 |
| 6 (CH) | 73.8 |
| 7 (CH) | 49.4 |
| 8 (CH) | 65.6 |
| 9 (CH2) | 28.8 |
| 10 (C) | 142.7 |
| 11 (C) | 134.8 |
| 12 (C) | 169.3 |
| 13 (CH2) | 121.2 |
| 14 (CH) | 195.5 |
| 15 (CH2) | 60.5 |
| 8a (C) | 171.7 |
| 8b (CH2) | 43.3 |
| 8c (CH) | 25.8 |
| 8d (CH3) | 22.4 |
| 8ca (CH3) | 22.3 |
