Spektraris NMR
Sacacarin
Common Name: Sacacarin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H24O4/c1-13-3-7-20-14(2)9-16(21)10-17(20)19(13,12-24-18(20)22)6-4-15-5-8-23-11-15/h5,8-9,11,13,17H,3-4,6-7,10,12H2,1-2H3/t13-,17-,19-,20-/m1/s1
InChIKey: InChIKey=SWELCLKQLDUYHL-XWYOBAOASA-N
Formula: C20H24O4
Molecular Weight: 328.402916
Exact Mass: 328.167459
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Maciel, M.A.M., Pinto, A.C., Brabo, S.N., Da Silva, M.N. Phytochemistry (1998) 49, 823-8
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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 (CH2) | 36.69 |
| 2 (C) | 195.78 |
| 3 (CH) | 128.28 |
| 4 (C) | 162.52 |
| 5 (C) | 49.34 |
| 6 (CH2) | 29.08 |
| 7 (CH2) | 29.45 |
| 8 (CH) | 36.34 |
| 9 (C) | 38.41 |
| 10 (CH) | 43.22 |
| 11 (CH2) | 35.22 |
| 12 (CH2) | 17.1 |
| 13 (C) | 123.76 |
| 14 (CH) | 110.7 |
| 15 (CH) | 143.07 |
| 16 (CH) | 138.71 |
| 17 (CH3) | 16.05 |
| 18 (CH3) | 20.58 |
| 19 (C) | 171.67 |
| 20 (CH2) | 74.45 |
