Spektraris NMR
6'-Acetyl-b-D-glucopyranosyldiderroside
Common Name: 6'-Acetyl-b-D-glucopyranosyldiderroside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H30O14/c1-8(33-10(3)23)15-11(5-14(24)25)12(19(29)30-4)6-32-20(15)35-21-18(28)17(27)16(26)13(34-21)7-31-9(2)22/h6,8,11,13,15-18,20-21,26-28H,5,7H2,1-4H3,(H,24,25)/t8?,11-,13-,15-,16-,17+,18-,20+,21+/m1/s1
InChIKey: InChIKey=FWVFWBXGZOLBJL-CKZITPDVSA-N
Formula: C21H30O14
Molecular Weight: 506.455345
Exact Mass: 506.163556
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) | 95 |
| 3 (CH) | 152.1 |
| 4 (C) | 109.1 |
| 5 (CH) | 28 |
| 6 (CH2) | 34.6 |
| 7 (C) | 173 |
| 8 (CH) | 68.5 |
| 9 (CH) | 42 |
| 10 (CH3) | 18.6 |
| 11 (C) | 166.2 |
| 1' (CH) | 99.1 |
| 2' (CH) | 73 |
| 3' (CH) | 76.3 |
| 4' (CH) | 70 |
| 5' (CH) | 73.6 |
| 6' (CH2) | 63.4 |
| 8a (C) | 169.3 |
| 8b (CH3) | 20.8 |
| 11a (CH3) | 50.9 |
| 6'a (C) | 170.3 |
| 6'b (CH3) | 20.6 |
