Spektraris NMR
Sipaucin A
Common Name: Sipaucin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H26O7/c1-12-6-5-7-18(11-24-14(3)21)16(25-18)9-19(8-15(12)22)17(4,26-19)10-23-13(2)20/h6,16H,5,7-11H2,1-4H3/b12-6+/t16-,17+,18-,19-/m1/s1
InChIKey: InChIKey=AMWPKNFYPSSNCJ-HYSZNHGLSA-N
Formula: C19H26O7
Molecular Weight: 366.406276
Exact Mass: 366.167853
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Jenett-Siems, K., Kraft, C., Siems, K., Jakupovic, J., Solis, P.N., Gupta, M.P., Bienzle, U. Phytochemistry (2003) 63, 377-81
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) | 138.2 |
| 2 (CH2) | 34.3 |
| 3 (CH2) | 31.9 |
| 4 (C) | 61.9 |
| 5 (CH) | 61.5 |
| 6 (CH2) | 24 |
| 7 (C) | 60.5 |
| 8 (CH2) | 42.6 |
| 9 (C) | 204 |
| 10 (C) | 136.7 |
| 11 (C) | 62.9 |
| 12 (CH2) | 64.7 |
| 13 (CH3) | 15.6 |
| 14 (CH3) | 12.6 |
| 15 (CH2) | 62.9 |
| 12a (C) | 170.2 |
| 12b (CH3) | 20.6 |
| 15b (C) | 170.3 |
| 15c (CH3) | 20.6 |
