Spektraris NMR
SQTL-3
Common Name: SQTL-3
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H30O7/c1-6-12(2)21(25)28-19-10-16(11-23)7-8-17(27-15(5)24)13(3)9-18-20(19)14(4)22(26)29-18/h7,9,12,17-20,23H,4,6,8,10-11H2,1-3,5H3/b13-9-,16-7-/t12?,17-,18+,19+,20-/m0/s1
InChIKey: InChIKey=RIXONVTVUDLKIW-HPOMSCJXSA-N
Formula: C22H30O7
Molecular Weight: 406.470247
Exact Mass: 406.199153
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Itoh, T., Oyama, M., Takimoto, N., Kato, C., Nozawa, Y., Akao, Y., Iinuma, M. Bioorg Med Chem (2009) 17, 3189-97
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) | 127.3 |
| 2 (CH2) | 29.8 |
| 3 (CH) | 77.5 |
| 4 (C) | 137.1 |
| 5 (CH) | 127.8 |
| 6 (CH) | 76.4 |
| 7 (CH) | 48.9 |
| 8 (CH) | 79.6 |
| 9 (CH2) | 38.1 |
| 10 (C) | 139.8 |
| 11 (C) | 141.2 |
| 12 (C) | 170.4 |
| 13 (CH2) | 124.4 |
| 14 (CH2) | 61.5 |
| 15 (CH3) | 23.4 |
| 3a (C) | 169.9 |
| 3b (CH3) | 21.5 |
| 8a (C) | 175.4 |
| 8b (CH) | 42.7 |
| 8c (CH2) | 27.5 |
| 8d (CH3) | 12.2 |
| 8e (CH3) | 17.1 |
