Spektraris NMR
SQTL-8
Common Name: SQTL-8
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O6/c1-5-11(2)19(23)25-17-9-14(10-21)6-7-15(22)12(3)8-16-18(17)13(4)20(24)26-16/h6,8,10-11,15-18,22H,4-5,7,9H2,1-3H3/b12-8+,14-6+/t11?,15-,16+,17+,18-/m0/s1
InChIKey: InChIKey=VHJHOLGPLWDVRH-HGGDYYTOSA-N
Formula: C20H26O6
Molecular Weight: 362.417607
Exact Mass: 362.172939
NMR Solvent: C6D6
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) | 150.2 |
| 2 (CH2) | 34.8 |
| 3 (CH) | 75.9 |
| 4 (C) | 139.2 |
| 5 (CH) | 124.1 |
| 6 (CH) | 75.9 |
| 7 (CH) | 49.3 |
| 8 (CH) | 65.6 |
| 9 (CH2) | 28.7 |
| 10 (C) | 143.1 |
| 11 (C) | 135.9 |
| 12 (C) | 169.1 |
| 13 (CH2) | 120.2 |
| 14 (CH) | 194.6 |
| 15 (CH3) | 10.4 |
| 8a (C) | 174.7 |
| 8b (CH) | 41.2 |
| 8c (CH2) | 27.1 |
| 8d (CH3) | 11.6 |
| 8e (CH3) | 16.9 |
