Spektraris NMR
Sesquiterpene At-1
Common Name: Sesquiterpene At-1
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H24O6/c1-10-6-7-15(23-13(4)20)11(2)9-17-18(12(3)19(22)25-17)16(8-10)24-14(5)21/h6,9,15-18H,3,7-8H2,1-2,4-5H3/b10-6+,11-9-/t15-,16+,17+,18+/m0/s1
InChIKey: InChIKey=UYYILVRTBQPYKL-XGPXLCPESA-N
Formula: C19H24O6
Molecular Weight: 348.39099
Exact Mass: 348.157289
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Fang, N.B., Mabry, T.J. Phytochemistry (1988) 27, 283-5
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) | 125 |
| 2 (CH2) | 29.4 |
| 3 (CH) | 78 |
| 4 (C) | 137.4 |
| 5 (CH) | 126.6 |
| 6 (CH) | 75.3 |
| 7 (CH) | 48.4 |
| 8 (CH) | 75.3 |
| 9 (CH2) | 43.4 |
| 10 (C) | 136 |
| 11 (C) | 135.2 |
| 12 (C) | 169.5 |
| 13 (CH2) | 124 |
| 14 (CH3) | 19.4 |
| 15 (CH3) | 23 |
| 3a (C) | 169.5 |
| 3b (CH3) | 21 |
| 8a (C) | 169.1 |
| 8b (CH3) | 20.7 |
