Spektraris NMR
2b-hydroxysantamarine-1b-D-glucopyranoside
Common Name: 2b-hydroxysantamarine-1b-D-glucopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H30O9/c1-8-6-11(23)18(30-20-16(26)15(25)14(24)12(7-22)28-20)21(3)5-4-10-9(2)19(27)29-17(10)13(8)21/h6,10-18,20,22-26H,2,4-5,7H2,1,3H3/t10-,11+,12+,13+,14+,15-,16+,17-,18+,20-,21+/m0/s1
InChIKey: InChIKey=NLWOWEXEIIJPGL-SJHMMPCUSA-N
Formula: C21H30O9
Molecular Weight: 426.458321
Exact Mass: 426.188983
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Zidorn, C., Ellmerer-Muller, E.P., Stuppner, H. Phytochemistry (1999) 51, 991-4
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eudesmanes; 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) | 84.8 |
| 2 (CH) | 64.7 |
| 3 (CH) | 124.9 |
| 4 (C) | 138.3 |
| 5 (CH) | 52.5 |
| 6 (CH) | 83 |
| 7 (CH) | 52.2 |
| 8 (CH2) | 21.6 |
| 9 (CH2) | 35.9 |
| 10 (C) | 40.9 |
| 11 (C) | 140.8 |
| 12 (C) | 172.6 |
| 13 (CH2) | 117.2 |
| 14 (CH3) | 14.2 |
| 15 (CH3) | 23.6 |
| 1' (CH) | 102.1 |
| 2' (CH) | 75.3 |
| 3' (CH) | 78.3 |
| 4' (CH) | 71.7 |
| 5' (CH) | 78.3 |
| 6' (CH2) | 62.9 |
