Spektraris NMR
8-O-Tigloyldiderroside
Common Name: 8-O-Tigloyldiderroside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H32O13/c1-5-9(2)19(29)33-10(3)15-11(6-14(24)25)12(20(30)31-4)8-32-21(15)35-22-18(28)17(27)16(26)13(7-23)34-22/h5,8,10-11,13,15-18,21-23,26-28H,6-7H2,1-4H3,(H,24,25)/b9-5+/t10?,11-,13-,15-,16-,17+,18-,21+,22+/m1/s1
InChIKey: InChIKey=JVEXRQAKPOSWCW-ALHOEMQISA-N
Formula: C22H32O13
Molecular Weight: 504.482558
Exact Mass: 504.184291
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Cardona Zuleta, L.M., Cavalheiro, A.J., Siqueira Silva, D.H., Furlan, M., Marx Young, M.C., Albuquerque, S., Castro-Gamboa, I., da Silva Bolzani, V. Phytochemistry (2003) 64, 549-53
Species:
Notes: Family : Terpenoids, Type : Monoterpenoids, Group : Iridoids; 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) | 94.1 |
| 3 (CH) | 152.1 |
| 4 (C) | 109.1 |
| 5 (CH) | 28 |
| 6 (CH2) | 34.4 |
| 7 (C) | 173 |
| 8 (CH) | 68.6 |
| 9 (CH) | 42.1 |
| 10 (CH3) | 18.8 |
| 11 (C) | 166.2 |
| 1' (CH) | 98.4 |
| 2' (CH) | 73.2 |
| 3' (CH) | 77.3 |
| 4' (CH) | 70.1 |
| 5' (CH) | 76.7 |
| 6' (CH2) | 61.3 |
| 8a (C) | 166.3 |
| 8b (C) | 128.1 |
| 8c (CH) | 137.4 |
| 8d (CH3) | 14.1 |
| 8ba (CH3) | 11.8 |
| 11a (CH3) | 50.9 |
