Spektraris NMR
MEGxp0_001079
Common Name: MEGxp0_001079
Synonyms: MEGxp0_001079
CAS Registry Number:
InChI: InChI=1S/C17H24O7/c1-7-12-10(23-8(2)18)6-16(3,21)9-5-11(19)17(4,22)13(9)14(12)24-15(7)20/h5,7,10-14,19,21-22H,6H2,1-4H3/t7-,10-,11+,12+,13-,14-,16-,17+/m0/s1
InChIKey: InChIKey=KGGKPXJSOGJLKI-JFURUWDJSA-N
Formula: C17H24O7
Molecular Weight: 340.368923
Exact Mass: 340.152203
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Segal, R., Eden, L., Danin, A., Kaiser, M., Duddeck, H. Phytochemistry (1984) 23, 2954-6
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Guaianes; 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) | 151.1 |
| 2 (CH) | 126.3 |
| 3 (CH) | 78.4 |
| 4 (C) | 79.1 |
| 5 (CH) | 57.3 |
| 6 (CH) | 76.5 |
| 7 (CH) | 54.8 |
| 8 (CH) | 71.7 |
| 9 (CH2) | 45.2 |
| 10 (C) | 68.6 |
| 11 (CH) | 40.5 |
| 12 (C) | 178.4 |
| 13 (CH3) | 14.8 |
| 14 (CH3) | 29.5 |
| 15 (CH3) | 21.4 |
| 8a (C) | 169.6 |
| 8b (CH3) | 21.1 |
