Spektraris NMR
Sipaucin B
Common Name: Sipaucin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H26O6/c1-7-18(5)16(12(2)10-24-13(3)20)8-15(9-17(18)22)19(6,23)11-25-14(4)21/h7,9,16,23H,1-2,8,10-11H2,3-6H3/t16-,18+,19?/m0/s1
InChIKey: InChIKey=FRTWIOLVDNAYBY-CXEJCQMISA-N
Formula: C19H26O6
Molecular Weight: 350.406871
Exact Mass: 350.172939
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 : Elemanes; 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) | 140.9 |
| 2 (CH2) | 115.2 |
| 3 (CH2) | 115.8 |
| 4 (C) | 143.2 |
| 5 (CH) | 47 |
| 6 (CH2) | 29.1 |
| 7 (C) | 162.5 |
| 8 (CH) | 124.1 |
| 9 (C) | 201.1 |
| 10 (C) | 50.8 |
| 11 (C) | 74 |
| 12 (CH2) | 69.4 |
| 13 (CH3) | 23.6 |
| 14 (CH3) | 17.8 |
| 15 (CH2) | 67.2 |
| 12a (C) | 170.6 |
| 12b (CH3) | 20.9 |
| 15a (C) | 170.8 |
| 15b (CH3) | 20.7 |
