Spektraris NMR
Ligustroside
Common Name: Ligustroside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H32O12/c1-3-15-16(10-19(28)34-9-8-13-4-6-14(27)7-5-13)17(23(32)33-2)12-35-24(15)37-25-22(31)21(30)20(29)18(11-26)36-25/h3-7,12,16,18,20-22,24-27,29-31H,8-11H2,1-2H3/b15-3-/t16-,18+,20+,21-,22+,24-,25-/m0/s1
InChIKey: InChIKey=GMQXOLRKJQWPNB-FAWHCFPASA-N
Formula: C25H32O12
Molecular Weight: 524.515361
Exact Mass: 524.189376
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - He Z.D., Dong H., Xu H.X., Ye W.C., Sun H.D., But P.P. Phytochemistry (2001) 56, 327-30
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) | 94.9 |
| 3 (CH) | 155 |
| 4 (C) | 109.1 |
| 5 (CH) | 31.5 |
| 6 (CH2) | 41.1 |
| 7 (C) | 173 |
| 8 (CH) | 124.8 |
| 9 (C) | 130 |
| 10 (CH3) | 13.6 |
| 1' (CH) | 100.5 |
| 2' (CH) | 74.4 |
| 3' (CH) | 77.6 |
| 4' (CH) | 71.2 |
| 5' (CH) | 78.5 |
| 6' (CH2) | 62.5 |
| 4a (C) | 168.4 |
| 4aa (CH3) | 51.9 |
| 7a (CH2) | 66.7 |
| 7b (CH2) | 34.9 |
| 7c (C) | 129.7 |
| 7d (CH) | 130.8 |
| 7e (CH) | 116.1 |
| 7f (C) | 156.7 |
| 7g (CH) | 116.1 |
| 7h (CH) | 130.8 |
