Spektraris NMR
BRD-K60791141-001-01-4
Common Name: BRD-K60791141-001-01-4
Synonyms: BRD-K60791141-001-01-4
CAS Registry Number:
InChI: InChI=1S/C18H26O6/c1-11(2)16(20)23-9-18(22,10-24-17(21)12(3)4)14-7-6-13(5)8-15(14)19/h6-8,11-12,19,22H,9-10H2,1-5H3
InChIKey: InChIKey=OQYPKKAXTUWISE-UHFFFAOYSA-N
Formula: C18H26O6
Molecular Weight: 338.396135
Exact Mass: 338.172939
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Mossa, J.S., ElFeraly, F.S., Muhammad, I., Zaw, K., Mbwambo, Z.H., Pezzuto, J.M., Fong, H.H.S. J Nat Prod (1997) 60, 550-5
Species:
Notes: Family : Aromatics, Type : Phenyl-alkanoids, Group : Phenylethanoids; 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) | 118.8 |
| 2 (C) | 156.5 |
| 3 (CH) | 118.6 |
| 4 (C) | 140.1 |
| 5 (CH) | 120.5 |
| 6 (CH) | 126.5 |
| 7 (C) | 78.7 |
| 8 (CH2) | 67.3 |
| 9 (CH2) | 67.3 |
| 10 (CH3) | 21 |
| 8a (C) | 177.5 |
| 8b (CH) | 33.9 |
| 8c (CH3) | 18.9 |
| 8ba (CH3) | 18.9 |
| 9a (C) | 177.5 |
| 9b (CH) | 33.9 |
| 9c (CH3) | 18.9 |
| 9ba (CH3) | 18.9 |
