Spektraris NMR
Dysidine
Common Name: Dysidine
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H33NO6S/c1-14-6-5-7-17-15(2)22(3,8-9-23(14,17)4)13-16-20(26)18(12-19(25)21(16)27)24-10-11-31(28,29)30/h6,12,15,17,24,27H,5,7-11,13H2,1-4H3,(H,28,29,30)/t15-,17+,22-,23-/m1/s1
InChIKey: InChIKey=HHKUTKBQEPDLMV-CIVZFWGOSA-N
Formula: C23H33N1O6S1
Molecular Weight: 451.578228
Exact Mass: 451.202858
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Giannini, C., Debitus, C., Lucas, R., Ubeda, A., Paya, M., Hooper, J.N., D'Auria, M.V. J Nat Prod (2001) 64, 612-5
Species:
Notes: Family : Terpenoids, Type : Merosesquiterpenoids, 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 (CH2) | 25.9 |
| 2 (CH2) | 27.8 |
| 3 (CH) | 121.5 |
| 4 (C) | 145 |
| 5 (C) | 39.1 |
| 6 (CH2) | 33.4 |
| 7 (CH2) | 29.8 |
| 8 (C) | 40.4 |
| 9 (CH) | 46.6 |
| 10 (CH) | 42.3 |
| 11 (CH3) | 18 |
| 12 (CH3) | 20.3 |
| 13 (CH3) | 24.3 |
| 14 (CH3) | 12.8 |
| 15 (CH2) | 34.8 |
| 1' (C) | 114.5 |
| 2' (C) | 170.3 |
| 3' (C) | 181 |
| 4' (CH) | 92.6 |
| 5' (C) | 153.4 |
| 6' (C) | 182.4 |
| 8' (CH2) | 39.7 |
| 9' (CH2) | 49.8 |
