Spektraris NMR
Licoagroside B
Common Name: Licoagroside B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C18H24O12/c1-8-16(9(19)3-4-27-8)30-17-15(25)14(24)13(23)10(29-17)7-28-12(22)6-18(2,26)5-11(20)21/h3-4,10,13-15,17,23-26H,5-7H2,1-2H3,(H,20,21)/t10-,13-,14+,15-,17+,18?/m1/s1
InChIKey: InChIKey=WCVUIHQUPRXYKT-RGCIIANRSA-N
Formula: C18H24O12
Molecular Weight: 432.376683
Exact Mass: 432.126776
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Li, W., Asada, Y., Yoshikawa, T. Phytochemistry (2000) 55, 447-56
Species:
Notes: Family : Pyranes; 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 |
|---|---|
| 2 (C) | 164.6 |
| 3 (C) | 143.3 |
| 4 (C) | 177 |
| 5 (CH) | 117.3 |
| 6 (CH) | 157.2 |
| 1' (CH) | 104.9 |
| 2' (CH) | 75.3 |
| 3' (CH) | 77.8 |
| 4' (CH) | 71.2 |
| 5' (CH) | 75.9 |
| 6' (CH2) | 64.3 |
| 2a (CH3) | 15.8 |
| 6'a (C) | 172.3 |
| 6'b (CH2) | 46.3 |
| 6'c (C) | 70.6 |
| 6'd (CH2) | 45.9 |
| 6'e (C) | 174.8 |
| 6'f (CH3) | 27.8 |
