Spektraris NMR
Sipaucin C
Common Name: Sipaucin C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H26O7/c1-11(20)24-9-17(3,23)13-7-14(15(22)8-13)19(10-25-12(2)21)6-5-16-18(19,4)26-16/h8,14,16,23H,5-7,9-10H2,1-4H3/t14-,16+,17?,18+,19+/m1/s1
InChIKey: InChIKey=LTORKLXEGAHTJM-OHAFEYBFSA-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 : Miscellanea; 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) | 67 |
| 2 (CH2) | 28.2 |
| 3 (CH2) | 29 |
| 4 (C) | 48.5 |
| 5 (CH) | 47.1 |
| 6 (CH2) | 32 |
| 7 (C) | 181.3 |
| 8 (CH) | 130.8 |
| 9 (C) | 208.2 |
| 10 (C) | 68 |
| 11 (C) | 73.6 |
| 12 (CH2) | 70.1 |
| 13 (CH3) | 25 |
| 14 (CH3) | 16.5 |
| 15 (CH2) | 66.7 |
| 12a (C) | 172.1 |
| 12b (CH3) | 21.2 |
| 15a (C) | 172.1 |
| 15b (CH3) | 21.2 |
